@researai/deepscientist 1.5.16 → 1.6.0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/AGENTS.md +309 -130
- package/AISB/catalog/aisb.b1.agentic_coding.yaml +244 -0
- package/AISB/catalog/aisb.b10.climate_earth.yaml +235 -0
- package/AISB/catalog/aisb.b11.model_efficiency.yaml +231 -0
- package/AISB/catalog/aisb.b12.embodied_ai.yaml +238 -0
- package/AISB/catalog/aisb.b2.agent_systems.yaml +229 -0
- package/AISB/catalog/aisb.b3.self_evolving_rl.yaml +237 -0
- package/AISB/catalog/aisb.b4.lm_reasoning.yaml +240 -0
- package/AISB/catalog/aisb.b5.math_proof.yaml +235 -0
- package/AISB/catalog/aisb.b6.research_process.yaml +243 -0
- package/AISB/catalog/aisb.b7.multimodal_fusion.yaml +232 -0
- package/AISB/catalog/aisb.b8.lifesci_drug.yaml +275 -0
- package/AISB/catalog/aisb.b9.material_science.yaml +237 -0
- package/AISB/catalog/aisb.t3.001_savvy.yaml +159 -0
- package/AISB/catalog/aisb.t3.001_savvy.zh.yaml +121 -0
- package/AISB/catalog/aisb.t3.002_pinet.yaml +189 -0
- package/AISB/catalog/aisb.t3.002_pinet.zh.yaml +130 -0
- package/AISB/catalog/aisb.t3.004_decentralattn.yaml +184 -0
- package/AISB/catalog/aisb.t3.004_decentralattn.zh.yaml +153 -0
- package/AISB/catalog/aisb.t3.005_tsae.yaml +193 -0
- package/AISB/catalog/aisb.t3.005_tsae.zh.yaml +139 -0
- package/AISB/catalog/aisb.t3.006_physense.yaml +194 -0
- package/AISB/catalog/aisb.t3.006_physense.zh.yaml +118 -0
- package/AISB/catalog/aisb.t3.007_reasoningiqa.yaml +169 -0
- package/AISB/catalog/aisb.t3.007_reasoningiqa.zh.yaml +133 -0
- package/AISB/catalog/aisb.t3.008_meanflows.yaml +188 -0
- package/AISB/catalog/aisb.t3.008_meanflows.zh.yaml +140 -0
- package/AISB/catalog/aisb.t3.009_scoremissing.yaml +179 -0
- package/AISB/catalog/aisb.t3.009_scoremissing.zh.yaml +119 -0
- package/AISB/catalog/aisb.t3.010_suitabilityfilter.yaml +221 -0
- package/AISB/catalog/aisb.t3.010_suitabilityfilter.zh.yaml +141 -0
- package/AISB/catalog/aisb.t3.011_osd.yaml +206 -0
- package/AISB/catalog/aisb.t3.011_osd.zh.yaml +163 -0
- package/AISB/catalog/aisb.t3.012_efficientqat.yaml +206 -0
- package/AISB/catalog/aisb.t3.012_efficientqat.zh.yaml +159 -0
- package/AISB/catalog/aisb.t3.013_appl.yaml +152 -0
- package/AISB/catalog/aisb.t3.013_appl.zh.yaml +126 -0
- package/AISB/catalog/aisb.t3.014_piguard.yaml +207 -0
- package/AISB/catalog/aisb.t3.014_piguard.zh.yaml +164 -0
- package/AISB/catalog/aisb.t3.015_frspec.yaml +209 -0
- package/AISB/catalog/aisb.t3.015_frspec.zh.yaml +163 -0
- package/AISB/catalog/aisb.t3.016_mathfusion.yaml +166 -0
- package/AISB/catalog/aisb.t3.016_mathfusion.zh.yaml +145 -0
- package/AISB/catalog/aisb.t3.017_multimodalglp.yaml +171 -0
- package/AISB/catalog/aisb.t3.017_multimodalglp.zh.yaml +122 -0
- package/AISB/catalog/aisb.t3.018_cotsynth.yaml +206 -0
- package/AISB/catalog/aisb.t3.018_cotsynth.zh.yaml +162 -0
- package/AISB/catalog/aisb.t3.019_dyscaleut.yaml +211 -0
- package/AISB/catalog/aisb.t3.019_dyscaleut.zh.yaml +148 -0
- package/AISB/catalog/aisb.t3.020_aristotle.yaml +173 -0
- package/AISB/catalog/aisb.t3.020_aristotle.zh.yaml +119 -0
- package/AISB/catalog/aisb.t3.021_tokenrecycling.yaml +160 -0
- package/AISB/catalog/aisb.t3.021_tokenrecycling.zh.yaml +129 -0
- package/AISB/catalog/aisb.t3.022_chainofreasoning.yaml +204 -0
- package/AISB/catalog/aisb.t3.022_chainofreasoning.zh.yaml +161 -0
- package/AISB/catalog/aisb.t3.023_guidedembed.yaml +211 -0
- package/AISB/catalog/aisb.t3.023_guidedembed.zh.yaml +189 -0
- package/AISB/catalog/aisb.t3.024_outputcentric.yaml +148 -0
- package/AISB/catalog/aisb.t3.024_outputcentric.zh.yaml +131 -0
- package/AISB/catalog/aisb.t3.025_deeper.yaml +143 -0
- package/AISB/catalog/aisb.t3.025_deeper.zh.yaml +116 -0
- package/AISB/catalog/aisb.t3.026_gartkg.yaml +195 -0
- package/AISB/catalog/aisb.t3.026_gartkg.zh.yaml +127 -0
- package/AISB/catalog/aisb.t3.027_citeeval.yaml +182 -0
- package/AISB/catalog/aisb.t3.027_citeeval.zh.yaml +135 -0
- package/AISB/catalog/aisb.t3.028_sbam.yaml +206 -0
- package/AISB/catalog/aisb.t3.028_sbam.zh.yaml +166 -0
- package/AISB/catalog/aisb.t3.029_cdqgeoembed.yaml +224 -0
- package/AISB/catalog/aisb.t3.029_cdqgeoembed.zh.yaml +142 -0
- package/AISB/catalog/aisb.t3.030_processrm.yaml +211 -0
- package/AISB/catalog/aisb.t3.030_processrm.zh.yaml +166 -0
- package/AISB/catalog/aisb.t3.031_circuitstability.yaml +172 -0
- package/AISB/catalog/aisb.t3.031_circuitstability.zh.yaml +134 -0
- package/AISB/catalog/aisb.t3.032_ptsolver.yaml +169 -0
- package/AISB/catalog/aisb.t3.032_ptsolver.zh.yaml +135 -0
- package/AISB/catalog/aisb.t3.033_gcse.yaml +144 -0
- package/AISB/catalog/aisb.t3.033_gcse.zh.yaml +126 -0
- package/AISB/catalog/aisb.t3.034_ensemblewm.yaml +183 -0
- package/AISB/catalog/aisb.t3.034_ensemblewm.zh.yaml +146 -0
- package/AISB/catalog/aisb.t3.035_moralvalueswa.yaml +207 -0
- package/AISB/catalog/aisb.t3.035_moralvalueswa.zh.yaml +165 -0
- package/AISB/catalog/aisb.t3.036_weakstrongpref.yaml +210 -0
- package/AISB/catalog/aisb.t3.036_weakstrongpref.zh.yaml +194 -0
- package/AISB/catalog/aisb.t3.037_dementiamask.yaml +172 -0
- package/AISB/catalog/aisb.t3.037_dementiamask.zh.yaml +132 -0
- package/AISB/catalog/aisb.t3.038_tinysam.yaml +284 -0
- package/AISB/catalog/aisb.t3.038_tinysam.zh.yaml +240 -0
- package/AISB/catalog/aisb.t3.039_calf.yaml +224 -0
- package/AISB/catalog/aisb.t3.039_calf.zh.yaml +194 -0
- package/AISB/catalog/aisb.t3.040_graniteguardian.yaml +199 -0
- package/AISB/catalog/aisb.t3.040_graniteguardian.zh.yaml +174 -0
- package/AISB/catalog/aisb.t3.041_amdm.yaml +149 -0
- package/AISB/catalog/aisb.t3.041_amdm.zh.yaml +137 -0
- package/AISB/catalog/aisb.t3.042_xpatch.yaml +216 -0
- package/AISB/catalog/aisb.t3.042_xpatch.zh.yaml +182 -0
- package/AISB/catalog/aisb.t3.043_vhm.yaml +268 -0
- package/AISB/catalog/aisb.t3.043_vhm.zh.yaml +193 -0
- package/AISB/catalog/aisb.t3.044_rgvi.yaml +224 -0
- package/AISB/catalog/aisb.t3.044_rgvi.zh.yaml +176 -0
- package/AISB/catalog/aisb.t3.045_pslstm.yaml +203 -0
- package/AISB/catalog/aisb.t3.045_pslstm.zh.yaml +179 -0
- package/AISB/catalog/aisb.t3.046_nonstatts.yaml +208 -0
- package/AISB/catalog/aisb.t3.046_nonstatts.zh.yaml +194 -0
- package/AISB/catalog/aisb.t3.047_timepfn.yaml +156 -0
- package/AISB/catalog/aisb.t3.047_timepfn.zh.yaml +124 -0
- package/AISB/catalog/aisb.t3.048_proxyspex.yaml +148 -0
- package/AISB/catalog/aisb.t3.048_proxyspex.zh.yaml +125 -0
- package/AISB/catalog/aisb.t3.049_hogwildinference.yaml +183 -0
- package/AISB/catalog/aisb.t3.049_hogwildinference.zh.yaml +138 -0
- package/AISB/catalog/aisb.t3.050_causalpfn.yaml +214 -0
- package/AISB/catalog/aisb.t3.050_causalpfn.zh.yaml +190 -0
- package/AISB/catalog/aisb.t3.051_flashtp.yaml +169 -0
- package/AISB/catalog/aisb.t3.051_flashtp.zh.yaml +124 -0
- package/AISB/catalog/aisb.t3.052_nsdiff.yaml +155 -0
- package/AISB/catalog/aisb.t3.052_nsdiff.zh.yaml +138 -0
- package/AISB/catalog/aisb.t3.053_k2vae.yaml +158 -0
- package/AISB/catalog/aisb.t3.053_k2vae.zh.yaml +132 -0
- package/AISB/catalog/aisb.t3.054_timebase.yaml +178 -0
- package/AISB/catalog/aisb.t3.054_timebase.zh.yaml +158 -0
- package/AISB/catalog/aisb.t3.055_csbrain.yaml +238 -0
- package/AISB/catalog/aisb.t3.055_csbrain.zh.yaml +184 -0
- package/AISB/catalog/aisb.t3.056_infosam.yaml +224 -0
- package/AISB/catalog/aisb.t3.056_infosam.zh.yaml +189 -0
- package/AISB/catalog/aisb.t3.057_mdreid.yaml +129 -0
- package/AISB/catalog/aisb.t3.057_mdreid.zh.yaml +117 -0
- package/AISB/catalog/aisb.t3.058_mindglitch.yaml +171 -0
- package/AISB/catalog/aisb.t3.058_mindglitch.zh.yaml +145 -0
- package/AISB/catalog/aisb.t3.059_selfsupervised.yaml +154 -0
- package/AISB/catalog/aisb.t3.059_selfsupervised.zh.yaml +125 -0
- package/AISB/catalog/aisb.t3.060_iaggad.yaml +121 -0
- package/AISB/catalog/aisb.t3.060_iaggad.zh.yaml +100 -0
- package/AISB/catalog/aisb.t3.061_hsgkn.yaml +136 -0
- package/AISB/catalog/aisb.t3.061_hsgkn.zh.yaml +113 -0
- package/AISB/catalog/aisb.t3.062_visionts.yaml +237 -0
- package/AISB/catalog/aisb.t3.062_visionts.zh.yaml +216 -0
- package/AISB/catalog/aisb.t3.063_tsrag.yaml +162 -0
- package/AISB/catalog/aisb.t3.063_tsrag.zh.yaml +138 -0
- package/AISB/catalog/aisb.t3.064_pir.yaml +221 -0
- package/AISB/catalog/aisb.t3.064_pir.zh.yaml +197 -0
- package/AISB/catalog/aisb.t3.065_proteinbinding.yaml +234 -0
- package/AISB/catalog/aisb.t3.065_proteinbinding.zh.yaml +167 -0
- package/AISB/catalog/aisb.t3.066_tropicalattention.yaml +267 -0
- package/AISB/catalog/aisb.t3.066_tropicalattention.zh.yaml +229 -0
- package/AISB/catalog/aisb.t3.067_kanad.yaml +193 -0
- package/AISB/catalog/aisb.t3.067_kanad.zh.yaml +167 -0
- package/AISB/catalog/aisb.t3.068_sempo.yaml +187 -0
- package/AISB/catalog/aisb.t3.068_sempo.zh.yaml +148 -0
- package/AISB/catalog/aisb.t3.069_treehfd.yaml +129 -0
- package/AISB/catalog/aisb.t3.069_treehfd.zh.yaml +111 -0
- package/AISB/catalog/aisb.t3.070_certifiedunlearning.yaml +224 -0
- package/AISB/catalog/aisb.t3.070_certifiedunlearning.zh.yaml +171 -0
- package/AISB/catalog/aisb.t3.071_neuralmjd.yaml +142 -0
- package/AISB/catalog/aisb.t3.071_neuralmjd.zh.yaml +120 -0
- package/AISB/catalog/aisb.t3.072_fedgmt.yaml +181 -0
- package/AISB/catalog/aisb.t3.072_fedgmt.zh.yaml +158 -0
- package/AISB/catalog/aisb.t3.073_rld.yaml +161 -0
- package/AISB/catalog/aisb.t3.073_rld.zh.yaml +129 -0
- package/AISB/catalog/aisb.t3.074_lsvi.yaml +163 -0
- package/AISB/catalog/aisb.t3.074_lsvi.zh.yaml +129 -0
- package/AISB/catalog/aisb.t3.075_treeslicedentropy.yaml +201 -0
- package/AISB/catalog/aisb.t3.075_treeslicedentropy.zh.yaml +148 -0
- package/AISB/catalog/aisb.t3.076_aanet.yaml +169 -0
- package/AISB/catalog/aisb.t3.076_aanet.zh.yaml +129 -0
- package/AISB/catalog/aisb.t3.077_cmnn.yaml +199 -0
- package/AISB/catalog/aisb.t3.077_cmnn.zh.yaml +165 -0
- package/AISB/catalog/aisb.t3.078_conformalanomaly.yaml +146 -0
- package/AISB/catalog/aisb.t3.078_conformalanomaly.zh.yaml +117 -0
- package/AISB/catalog/aisb.t3.079_dpfkmeans.yaml +131 -0
- package/AISB/catalog/aisb.t3.079_dpfkmeans.zh.yaml +104 -0
- package/AISB/catalog/aisb.t3.080_latentscorereweight.yaml +169 -0
- package/AISB/catalog/aisb.t3.080_latentscorereweight.zh.yaml +123 -0
- package/AISB/catalog/aisb.t3.081_qmamba.yaml +150 -0
- package/AISB/catalog/aisb.t3.081_qmamba.zh.yaml +117 -0
- package/AISB/catalog/aisb.t3.082_onlinellmrouting.yaml +160 -0
- package/AISB/catalog/aisb.t3.082_onlinellmrouting.zh.yaml +133 -0
- package/AISB/catalog/aisb.t3.083_starformer.yaml +178 -0
- package/AISB/catalog/aisb.t3.083_starformer.zh.yaml +140 -0
- package/AISB/catalog/aisb.t3.084_ift.yaml +139 -0
- package/AISB/catalog/aisb.t3.084_ift.zh.yaml +111 -0
- package/AISB/catalog/aisb.t3.085_neuralsurv.yaml +183 -0
- package/AISB/catalog/aisb.t3.085_neuralsurv.zh.yaml +143 -0
- package/AISB/catalog/aisb.t3.086_stella.yaml +197 -0
- package/AISB/catalog/aisb.t3.086_stella.zh.yaml +142 -0
- package/AISB/catalog/aisb.t3.087_moses.yaml +167 -0
- package/AISB/catalog/aisb.t3.087_moses.zh.yaml +132 -0
- package/AISB/catalog/aisb.t3.088_channelnorm.yaml +140 -0
- package/AISB/catalog/aisb.t3.088_channelnorm.zh.yaml +109 -0
- package/AISB/catalog/aisb.t3.089_causalvelocity.yaml +730 -0
- package/AISB/catalog/aisb.t3.089_causalvelocity.zh.yaml +668 -0
- package/AISB/catalog/aisb.t3.090_rstib.yaml +144 -0
- package/AISB/catalog/aisb.t3.090_rstib.zh.yaml +109 -0
- package/AISB/catalog/aisb.t3.091_timeawarecausal.yaml +132 -0
- package/AISB/catalog/aisb.t3.091_timeawarecausal.zh.yaml +107 -0
- package/AISB/catalog/aisb.t3.092_kmeanslocalopt.yaml +138 -0
- package/AISB/catalog/aisb.t3.092_kmeanslocalopt.zh.yaml +110 -0
- package/AISB/catalog/aisb.t3.093_fedwmsam.yaml +134 -0
- package/AISB/catalog/aisb.t3.093_fedwmsam.zh.yaml +106 -0
- package/AISB/catalog/aisb.t3.094_boundre.yaml +147 -0
- package/AISB/catalog/aisb.t3.094_boundre.zh.yaml +114 -0
- package/AISB/catalog/aisb.t3.095_fastfeaturecp.yaml +153 -0
- package/AISB/catalog/aisb.t3.095_fastfeaturecp.zh.yaml +118 -0
- package/AISB/catalog/aisb.t3.096_m3svm.yaml +189 -0
- package/AISB/catalog/aisb.t3.096_m3svm.zh.yaml +149 -0
- package/AISB/catalog/aisb.t3.097_wassersteintl.yaml +212 -0
- package/AISB/catalog/aisb.t3.097_wassersteintl.zh.yaml +169 -0
- package/AISB/catalog/aisb.t3.098_xmahalanobis.yaml +171 -0
- package/AISB/catalog/aisb.t3.098_xmahalanobis.zh.yaml +127 -0
- package/AISB/catalog/aisb.t3.099_ollalanding.yaml +248 -0
- package/AISB/catalog/aisb.t3.099_ollalanding.zh.yaml +182 -0
- package/AISB/catalog/aisb.t3.100_invmissingdata.yaml +179 -0
- package/AISB/catalog/aisb.t3.100_invmissingdata.zh.yaml +150 -0
- package/AISB/catalog/aisb.t3.101_acia.yaml +164 -0
- package/AISB/catalog/aisb.t3.101_acia.zh.yaml +109 -0
- package/AISB/catalog/aisb.t3.102_stochasticff.yaml +178 -0
- package/AISB/catalog/aisb.t3.102_stochasticff.zh.yaml +130 -0
- package/AISB/catalog/aisb.t3.103_qdcp.yaml +150 -0
- package/AISB/catalog/aisb.t3.103_qdcp.zh.yaml +116 -0
- package/AISB/catalog/aisb.t3.104_balancedactiveinf.yaml +137 -0
- package/AISB/catalog/aisb.t3.104_balancedactiveinf.zh.yaml +104 -0
- package/AISB/catalog/aisb.t3.105_binaryclasseval.yaml +161 -0
- package/AISB/catalog/aisb.t3.105_binaryclasseval.zh.yaml +130 -0
- package/AISB/image/001_aisb.t3.001_savvy.jpg +0 -0
- package/AISB/image/002_aisb.t3.002_pinet.jpg +0 -0
- package/AISB/image/003_aisb.t3.003_dmsqd.jpg +0 -0
- package/AISB/image/004_aisb.t3.004_decentralattn.jpg +0 -0
- package/AISB/image/005_aisb.t3.005_tsae.jpg +0 -0
- package/AISB/image/006_aisb.t3.006_physense.jpg +0 -0
- package/AISB/image/007_aisb.t3.007_reasoningiqa.jpg +0 -0
- package/AISB/image/008_aisb.t3.008_meanflows.jpg +0 -0
- package/AISB/image/009_aisb.t3.009_scoremissing.jpg +0 -0
- package/AISB/image/010_aisb.t3.010_suitabilityfilter.jpg +0 -0
- package/AISB/image/011_aisb.t3.011_osd.jpg +0 -0
- package/AISB/image/012_aisb.t3.012_efficientqat.jpg +0 -0
- package/AISB/image/013_aisb.t3.013_appl.jpg +0 -0
- package/AISB/image/014_aisb.t3.014_piguard.jpg +0 -0
- package/AISB/image/015_aisb.t3.015_frspec.jpg +0 -0
- package/AISB/image/016_aisb.t3.016_mathfusion.jpg +0 -0
- package/AISB/image/017_aisb.t3.017_multimodalglp.jpg +0 -0
- package/AISB/image/018_aisb.t3.018_cotsynth.jpg +0 -0
- package/AISB/image/019_aisb.t3.019_dyscaleut.jpg +0 -0
- package/AISB/image/020_aisb.t3.020_aristotle.jpg +0 -0
- package/AISB/image/021_aisb.t3.021_tokenrecycling.jpg +0 -0
- package/AISB/image/022_aisb.t3.022_chainofreasoning.jpg +0 -0
- package/AISB/image/023_aisb.t3.023_guidedembed.jpg +0 -0
- package/AISB/image/024_aisb.t3.024_outputcentric.jpg +0 -0
- package/AISB/image/025_aisb.t3.025_deeper.jpg +0 -0
- package/AISB/image/026_aisb.t3.026_gartkg.jpg +0 -0
- package/AISB/image/027_aisb.t3.027_citeeval.jpg +0 -0
- package/AISB/image/028_aisb.t3.028_sbam.jpg +0 -0
- package/AISB/image/029_aisb.t3.029_cdqgeoembed.jpg +0 -0
- package/AISB/image/030_aisb.t3.030_processrm.jpg +0 -0
- package/AISB/image/031_aisb.t3.031_circuitstability.jpg +0 -0
- package/AISB/image/032_aisb.t3.032_ptsolver.jpg +0 -0
- package/AISB/image/033_aisb.t3.033_gcse.jpg +0 -0
- package/AISB/image/034_aisb.t3.034_ensemblewm.jpg +0 -0
- package/AISB/image/035_aisb.t3.035_moralvalueswa.jpg +0 -0
- package/AISB/image/036_aisb.t3.036_weakstrongpref.jpg +0 -0
- package/AISB/image/037_aisb.t3.037_dementiamask.jpg +0 -0
- package/AISB/image/038_aisb.t3.038_tinysam.jpg +0 -0
- package/AISB/image/039_aisb.t3.039_calf.jpg +0 -0
- package/AISB/image/040_aisb.t3.040_graniteguardian.jpg +0 -0
- package/AISB/image/041_aisb.t3.041_amdm.jpg +0 -0
- package/AISB/image/042_aisb.t3.042_xpatch.jpg +0 -0
- package/AISB/image/043_aisb.t3.043_vhm.jpg +0 -0
- package/AISB/image/044_aisb.t3.044_rgvi.jpg +0 -0
- package/AISB/image/045_aisb.t3.045_pslstm.jpg +0 -0
- package/AISB/image/046_aisb.t3.046_nonstatts.jpg +0 -0
- package/AISB/image/047_aisb.t3.047_timepfn.jpg +0 -0
- package/AISB/image/048_aisb.t3.048_proxyspex.jpg +0 -0
- package/AISB/image/049_aisb.t3.049_hogwildinference.jpg +0 -0
- package/AISB/image/050_aisb.t3.050_causalpfn.jpg +0 -0
- package/AISB/image/051_aisb.t3.051_flashtp.jpg +0 -0
- package/AISB/image/052_aisb.t3.052_nsdiff.jpg +0 -0
- package/AISB/image/053_aisb.t3.053_k2vae.jpg +0 -0
- package/AISB/image/054_aisb.t3.054_timebase.jpg +0 -0
- package/AISB/image/055_aisb.t3.055_csbrain.jpg +0 -0
- package/AISB/image/056_aisb.t3.056_infosam.jpg +0 -0
- package/AISB/image/057_aisb.t3.057_mdreid.jpg +0 -0
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|
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|
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|
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|
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|
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256
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297
|
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"description": "BATMAN is a Python package for very fast computation of exoplanet transit light curves, supporting multiple limb-darkening laws for fitting and simulating planetary transit photometry.",
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"domains": [
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"astronomy_astrophysics"
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"astronomy",
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"exoplanets",
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"transit-light-curves",
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"photometry",
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"time-series"
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],
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"knowledge_url": "https://github.com/skilled-scipkg/batman",
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"upstream_repo_url": "https://github.com/lkreidberg/batman",
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"homepage_url": "http://lkreidberg.github.io/batman",
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"card": "references/packages/batman.md"
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},
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{
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"package_id": "biopython",
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"title": "Biopython",
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"description": "Biopython provides Python tools for bioinformatics and computational molecular biology, covering biological sequence parsing, alignments, phylogenetics, and interfaces to common genomics and proteomics data sources.",
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"domains": [
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"bioinformatics"
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],
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"tags": [
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"bioinformatics",
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"computational-biology",
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"molecular-biology",
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"sequence-analysis",
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"genomics"
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],
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"knowledge_url": "https://github.com/skilled-scipkg/biopython",
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"source_archive_url": "https://github.com/skilled-scipkg/biopython/archive/refs/heads/master.zip",
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"upstream_repo_url": "https://github.com/biopython/biopython",
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"homepage_url": "http://biopython.org/",
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"card": "references/packages/biopython.md"
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},
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{
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335
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"package_id": "bloqade",
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336
|
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"title": "Bloqade Neutral Atom Quantum SDK",
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337
|
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"description": "Bloqade is QuEra's Python SDK and eDSL suite for programming, compiling, and simulating neutral-atom quantum computing workflows on Rydberg-atom hardware and related backends.",
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"domains": [
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"workflow_provenance"
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],
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"tags": [
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|
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"quantum-computing",
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|
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"neutral-atoms",
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|
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"rydberg",
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|
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"quantum-sdk",
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|
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"edsl",
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|
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"quera"
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|
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],
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349
|
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"knowledge_url": "https://github.com/skilled-scipkg/bloqade",
|
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|
+
"source_archive_url": "https://github.com/skilled-scipkg/bloqade/archive/refs/heads/main.zip",
|
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351
|
+
"upstream_repo_url": "https://github.com/QuEraComputing/bloqade",
|
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352
|
+
"homepage_url": "https://bloqade.quera.com/latest/",
|
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|
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"card": "references/packages/bloqade.md"
|
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|
+
},
|
|
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|
+
{
|
|
356
|
+
"package_id": "brian2",
|
|
357
|
+
"title": "Brian2 Spiking Neural Network Simulator",
|
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358
|
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"description": "Brian2 is an open source Python simulator for building and running flexible spiking neural network models in computational neuroscience research and education.",
|
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359
|
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"domains": [
|
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|
+
"computational_neuroscience"
|
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|
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],
|
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362
|
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"tags": [
|
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363
|
+
"computational-neuroscience",
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|
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"spiking-networks",
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365
|
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"neural-simulation",
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366
|
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"dynamical-systems"
|
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|
+
],
|
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368
|
+
"knowledge_url": "https://github.com/skilled-scipkg/brian2",
|
|
369
|
+
"source_archive_url": "https://github.com/skilled-scipkg/brian2/archive/refs/heads/master.zip",
|
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370
|
+
"upstream_repo_url": "https://github.com/brian-team/brian2",
|
|
371
|
+
"homepage_url": "http://briansimulator.org",
|
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|
+
"card": "references/packages/brian2.md"
|
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|
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},
|
|
374
|
+
{
|
|
375
|
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"package_id": "bullet3",
|
|
376
|
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"title": "Bullet Physics SDK (bullet3)",
|
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377
|
+
"description": "Bullet3 is a real time physics simulation library for rigid body dynamics and collision detection, with strong PyBullet workflows for robotics and reinforcement learning research.",
|
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378
|
+
"domains": [
|
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|
+
"workflow_provenance",
|
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|
+
"robotics_physics"
|
|
381
|
+
],
|
|
382
|
+
"tags": [
|
|
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|
+
"physics",
|
|
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|
+
"simulation",
|
|
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|
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"collision",
|
|
386
|
+
"rigidbody",
|
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387
|
+
"robotics",
|
|
388
|
+
"pybullet"
|
|
389
|
+
],
|
|
390
|
+
"knowledge_url": "https://github.com/skilled-scipkg/bullet3",
|
|
391
|
+
"source_archive_url": "https://github.com/skilled-scipkg/bullet3/archive/refs/heads/master.zip",
|
|
392
|
+
"upstream_repo_url": "https://github.com/bulletphysics/bullet3",
|
|
393
|
+
"homepage_url": "http://bulletphysics.org",
|
|
394
|
+
"card": "references/packages/bullet3.md"
|
|
395
|
+
},
|
|
396
|
+
{
|
|
397
|
+
"package_id": "calculix",
|
|
398
|
+
"title": "CalculiX Finite Element Program",
|
|
399
|
+
"description": "CalculiX is an open-source three-dimensional finite element package for structural and thermomechanical simulation, with ABAQUS-style input decks and engineering stress analysis workflows.",
|
|
400
|
+
"domains": [
|
|
401
|
+
"finite_element_engineering",
|
|
402
|
+
"workflow_provenance"
|
|
403
|
+
],
|
|
404
|
+
"tags": [
|
|
405
|
+
"finite-element",
|
|
406
|
+
"fea",
|
|
407
|
+
"structural-mechanics",
|
|
408
|
+
"thermomechanics",
|
|
409
|
+
"mechanical-simulation"
|
|
410
|
+
],
|
|
411
|
+
"knowledge_url": "https://github.com/skilled-scipkg/CalculiX",
|
|
412
|
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"source_archive_url": "https://github.com/skilled-scipkg/CalculiX/archive/refs/heads/master.zip",
|
|
413
|
+
"upstream_repo_url": "https://github.com/Dhondtguido/CalculiX",
|
|
414
|
+
"homepage_url": "https://github.com/Dhondtguido/CalculiX",
|
|
415
|
+
"card": "references/packages/calculix.md"
|
|
416
|
+
},
|
|
417
|
+
{
|
|
418
|
+
"package_id": "cantera",
|
|
419
|
+
"title": "Cantera Chemical Kinetics and Combustion",
|
|
420
|
+
"description": "Cantera is an open-source scientific toolkit for modeling chemical kinetics, thermodynamics, and transport, supporting equilibrium calculations, reactor-network simulations, and one-dimensional flame analyses across multiple programming interfaces.",
|
|
421
|
+
"domains": [
|
|
422
|
+
"computational_science"
|
|
423
|
+
],
|
|
424
|
+
"tags": [
|
|
425
|
+
"chemical-kinetics",
|
|
426
|
+
"combustion",
|
|
427
|
+
"thermodynamics",
|
|
428
|
+
"transport",
|
|
429
|
+
"reactor-modeling",
|
|
430
|
+
"flame-simulation"
|
|
431
|
+
],
|
|
432
|
+
"knowledge_url": "https://github.com/skilled-scipkg/cantera",
|
|
433
|
+
"source_archive_url": "https://github.com/skilled-scipkg/cantera/archive/refs/heads/main.zip",
|
|
434
|
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"upstream_repo_url": "https://github.com/Cantera/cantera",
|
|
435
|
+
"homepage_url": "https://cantera.org",
|
|
436
|
+
"card": "references/packages/cantera.md"
|
|
437
|
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},
|
|
438
|
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{
|
|
439
|
+
"package_id": "cavity-md-ipi",
|
|
440
|
+
"title": "CavMD: Cavity Molecular Dynamics",
|
|
441
|
+
"description": "CavMD simulates cavity-coupled molecular dynamics for vibrational strong and ultrastrong coupling, spanning classical and path-integral regimes with workflows for setup, job submission, post-processing, and plotting.",
|
|
442
|
+
"domains": [
|
|
443
|
+
"molecular_dynamics",
|
|
444
|
+
"workflow_provenance"
|
|
445
|
+
],
|
|
446
|
+
"tags": [
|
|
447
|
+
"molecular-dynamics",
|
|
448
|
+
"cavity-qed",
|
|
449
|
+
"vibrational-coupling",
|
|
450
|
+
"chemical-physics",
|
|
451
|
+
"path-integral",
|
|
452
|
+
"qmmm"
|
|
453
|
+
],
|
|
454
|
+
"knowledge_url": "https://github.com/skilled-scipkg/cavity-md-ipi",
|
|
455
|
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"source_archive_url": "https://github.com/skilled-scipkg/cavity-md-ipi/archive/refs/heads/master.zip",
|
|
456
|
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|
|
457
|
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|
|
458
|
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|
|
459
|
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|
|
460
|
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{
|
|
461
|
+
"package_id": "ccdproc",
|
|
462
|
+
"title": "CCDProc CCD Image Reduction",
|
|
463
|
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"description": "Astropy-affiliated toolkit for calibrating and reducing optical and infrared CCD observations with overscan, bias, dark, flat, bad-pixel masking, cosmic-ray cleaning, and uncertainty-aware processing.",
|
|
464
|
+
"domains": [
|
|
465
|
+
"astronomy_astrophysics"
|
|
466
|
+
],
|
|
467
|
+
"tags": [
|
|
468
|
+
"astronomy",
|
|
469
|
+
"ccd",
|
|
470
|
+
"image-reduction",
|
|
471
|
+
"optical-ir",
|
|
472
|
+
"calibration"
|
|
473
|
+
],
|
|
474
|
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"knowledge_url": "https://github.com/skilled-scipkg/ccdproc",
|
|
475
|
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"source_archive_url": "https://github.com/skilled-scipkg/ccdproc/archive/refs/heads/main.zip",
|
|
476
|
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"upstream_repo_url": "https://github.com/astropy/ccdproc",
|
|
477
|
+
"homepage_url": "https://ccdproc.readthedocs.io",
|
|
478
|
+
"card": "references/packages/ccdproc.md"
|
|
479
|
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},
|
|
480
|
+
{
|
|
481
|
+
"package_id": "celerite2",
|
|
482
|
+
"title": "celerite2 Gaussian Process Toolkit",
|
|
483
|
+
"description": "celerite2 provides numerically stable, fast one-dimensional Gaussian process regression in Python and C++, optimized for scalable time-series inference with structured kernels and astronomy-focused probabilistic modeling workflows.",
|
|
484
|
+
"domains": [
|
|
485
|
+
"astronomy_astrophysics",
|
|
486
|
+
"workflow_provenance"
|
|
487
|
+
],
|
|
488
|
+
"tags": [
|
|
489
|
+
"gaussian-processes",
|
|
490
|
+
"time-series",
|
|
491
|
+
"astronomy",
|
|
492
|
+
"probabilistic-modeling",
|
|
493
|
+
"celerite"
|
|
494
|
+
],
|
|
495
|
+
"knowledge_url": "https://github.com/skilled-scipkg/celerite2",
|
|
496
|
+
"source_archive_url": "https://github.com/skilled-scipkg/celerite2/archive/refs/heads/main.zip",
|
|
497
|
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|
|
498
|
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"homepage_url": "https://celerite2.readthedocs.io",
|
|
499
|
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"card": "references/packages/celerite2.md"
|
|
500
|
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|
|
501
|
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{
|
|
502
|
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"package_id": "cellrank",
|
|
503
|
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"title": "CellRank Single-Cell Fate Mapping",
|
|
504
|
+
"description": "CellRank is a single-cell analysis framework that models cellular dynamics with Markov state methods to infer lineage fates, macrostates, and driver genes from multiview data.",
|
|
505
|
+
"domains": [
|
|
506
|
+
"computational_science"
|
|
507
|
+
],
|
|
508
|
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"tags": [
|
|
509
|
+
"single-cell",
|
|
510
|
+
"fate-mapping",
|
|
511
|
+
"trajectory-inference",
|
|
512
|
+
"rna-velocity",
|
|
513
|
+
"markov-models",
|
|
514
|
+
"computational-biology"
|
|
515
|
+
],
|
|
516
|
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"knowledge_url": "https://github.com/skilled-scipkg/cellrank",
|
|
517
|
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|
|
518
|
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|
|
519
|
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"homepage_url": "https://cellrank.readthedocs.io/en/latest/",
|
|
520
|
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"card": "references/packages/cellrank.md"
|
|
521
|
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|
|
522
|
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{
|
|
523
|
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"package_id": "cesm",
|
|
524
|
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"title": "CESM (Community Earth System Model)",
|
|
525
|
+
"description": "CESM is a coupled Earth system modeling framework for simulating climate dynamics across atmosphere, ocean, land, and sea ice components on HPC systems using CIME workflows.",
|
|
526
|
+
"domains": [
|
|
527
|
+
"workflow_provenance"
|
|
528
|
+
],
|
|
529
|
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"tags": [
|
|
530
|
+
"climate-modeling",
|
|
531
|
+
"earth-system",
|
|
532
|
+
"geoscience",
|
|
533
|
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"hpc",
|
|
534
|
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"coupled-model"
|
|
535
|
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],
|
|
536
|
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|
|
537
|
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|
|
538
|
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|
|
539
|
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"homepage_url": "http://www.cesm.ucar.edu/",
|
|
540
|
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"card": "references/packages/cesm.md"
|
|
541
|
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|
|
542
|
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{
|
|
543
|
+
"package_id": "chemicals",
|
|
544
|
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"title": "Chemicals Thermophysical Data Library",
|
|
545
|
+
"description": "Python library with on-demand databases and correlations for pure-component constants, thermophysical properties, safety information, and phase-equilibrium calculations used in chemical engineering workflows.",
|
|
546
|
+
"domains": [
|
|
547
|
+
"workflow_provenance"
|
|
548
|
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|
|
549
|
+
"tags": [
|
|
550
|
+
"chemical-engineering",
|
|
551
|
+
"thermodynamics",
|
|
552
|
+
"property-database",
|
|
553
|
+
"phase-equilibrium",
|
|
554
|
+
"thermophysical-properties",
|
|
555
|
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"process-simulation"
|
|
556
|
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],
|
|
557
|
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|
|
558
|
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|
|
559
|
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|
|
560
|
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"homepage_url": "https://github.com/CalebBell/chemicals",
|
|
561
|
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|
|
562
|
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|
|
563
|
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{
|
|
564
|
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"package_id": "chempy",
|
|
565
|
+
"title": "ChemPy Chemical Modeling Toolkit",
|
|
566
|
+
"description": "ChemPy is a Python chemistry library focused on reaction kinetics, equilibrium systems, and physical chemistry relations, with practical property models for aqueous and acid solutions.",
|
|
567
|
+
"domains": [
|
|
568
|
+
"computational_science"
|
|
569
|
+
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|
|
570
|
+
"tags": [
|
|
571
|
+
"chemistry",
|
|
572
|
+
"chemical-kinetics",
|
|
573
|
+
"equilibrium",
|
|
574
|
+
"physical-chemistry",
|
|
575
|
+
"analytical-chemistry",
|
|
576
|
+
"solution-chemistry"
|
|
577
|
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],
|
|
578
|
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|
|
579
|
+
"source_archive_url": "https://github.com/skilled-scipkg/chempy/archive/refs/heads/master.zip",
|
|
580
|
+
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|
|
581
|
+
"homepage_url": "https://github.com/bjodah/chempy",
|
|
582
|
+
"card": "references/packages/chempy.md"
|
|
583
|
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|
|
584
|
+
{
|
|
585
|
+
"package_id": "cirq",
|
|
586
|
+
"title": "Cirq Quantum Circuit Framework",
|
|
587
|
+
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|
|
588
|
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|
|
589
|
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|
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|
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|
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|
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|
|
592
|
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|
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593
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|
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|
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598
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|
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601
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|
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604
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|
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605
|
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|
|
606
|
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|
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607
|
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608
|
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|
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609
|
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|
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610
|
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|
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611
|
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|
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612
|
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|
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613
|
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|
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614
|
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|
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|
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616
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|
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621
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627
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628
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|
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629
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"title": "CP2K Quantum Chemistry Suite",
|
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630
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631
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|
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|
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|
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|
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636
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|
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|
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639
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|
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640
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650
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|
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651
|
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"title": "Custodian JIT Simulation Job Manager",
|
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652
|
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"description": "Custodian is a Python framework for just-in-time management of long-running materials and chemistry calculations, providing automated error detection, correction, and restart workflows for high-throughput simulation campaigns.",
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653
|
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|
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654
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656
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|
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657
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658
|
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659
|
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|
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660
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663
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664
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{
|
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674
|
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"package_id": "dart",
|
|
675
|
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"title": "DART Robotics Dynamics Engine",
|
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676
|
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"description": "DART is a C++20 robotics and animation dynamics engine with stable articulated rigid-body simulation, collision and constraint handling, and Python bindings via dartpy.",
|
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677
|
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|
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|
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|
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|
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|
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|
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695
|
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|
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696
|
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"title": "Datamol Molecular Processing Toolkit",
|
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697
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717
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|
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718
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|
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719
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720
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721
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738
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|
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739
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|
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740
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|
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|
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786
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"title": "Delphes Fast Collider Simulation",
|
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787
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806
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807
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828
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829
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|
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|
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|
|
849
|
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"title": "DFT-D4 Dispersion Correction",
|
|
850
|
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|
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851
|
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|
852
|
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|
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|
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855
|
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|
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|
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{
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|
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|
869
|
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"title": "DFTK.jl Density-Functional Toolkit",
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|
870
|
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|
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|
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|
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|
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883
|
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|
|
884
|
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|
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885
|
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|
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886
|
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887
|
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|
|
888
|
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{
|
|
889
|
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|
|
890
|
+
"title": "DOLFINx",
|
|
891
|
+
"description": "DOLFINx is the next generation FEniCSx environment for parallel finite element solution of partial differential equations through interoperable C++ and Python interfaces.",
|
|
892
|
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|
|
893
|
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"computational_fluid_dynamics",
|
|
894
|
+
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|
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895
|
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"workflow_provenance"
|
|
896
|
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|
|
897
|
+
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|
|
898
|
+
"fenicsx",
|
|
899
|
+
"finite-element",
|
|
900
|
+
"pde",
|
|
901
|
+
"hpc",
|
|
902
|
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"multiphysics"
|
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903
|
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|
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904
|
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905
|
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|
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906
|
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|
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907
|
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|
|
908
|
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|
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909
|
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},
|
|
910
|
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{
|
|
911
|
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|
|
912
|
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"title": "Drake Robotics Toolkit",
|
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913
|
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|
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914
|
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|
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915
|
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|
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916
|
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917
|
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|
|
918
|
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|
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919
|
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920
|
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|
|
921
|
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|
|
922
|
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|
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923
|
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"planning"
|
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924
|
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925
|
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926
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927
|
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|
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928
|
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|
|
929
|
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930
|
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931
|
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{
|
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932
|
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|
|
933
|
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"title": "DuMux Porous Media Simulator",
|
|
934
|
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935
|
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|
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936
|
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|
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937
|
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|
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938
|
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|
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939
|
+
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|
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940
|
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|
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941
|
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|
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942
|
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|
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943
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944
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945
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946
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947
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948
|
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|
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949
|
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950
|
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951
|
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{
|
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952
|
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|
|
953
|
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"title": "Elk All-Electron DFT Code",
|
|
954
|
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"description": "Elk is an all-electron full-potential linearized augmented-plane-wave code for first-principles electronic-structure calculations in solids using density functional theory and related methods.",
|
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955
|
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"domains": [
|
|
956
|
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|
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957
|
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|
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958
|
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|
|
959
|
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"tags": [
|
|
960
|
+
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|
|
961
|
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|
|
962
|
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|
|
963
|
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"fp-lapw",
|
|
964
|
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|
|
965
|
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|
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966
|
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967
|
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968
|
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969
|
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970
|
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|
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971
|
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972
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973
|
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{
|
|
974
|
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|
|
975
|
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"title": "Elmer FEM",
|
|
976
|
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"description": "ElmerFEM is an open-source multiphysics finite element simulation suite for solving coupled partial differential equations in engineering and physics, including fluid flow, heat transfer, electromagnetics, and structural mechanics.",
|
|
977
|
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|
|
978
|
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|
|
979
|
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|
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980
|
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"finite_element_engineering"
|
|
981
|
+
],
|
|
982
|
+
"tags": [
|
|
983
|
+
"finite-element",
|
|
984
|
+
"multiphysics",
|
|
985
|
+
"pde",
|
|
986
|
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|
|
987
|
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"cfd",
|
|
988
|
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"structural-mechanics"
|
|
989
|
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],
|
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990
|
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991
|
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|
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992
|
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|
|
993
|
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|
|
994
|
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"card": "references/packages/elmerfem.md"
|
|
995
|
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},
|
|
996
|
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{
|
|
997
|
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"package_id": "enzo-e",
|
|
998
|
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"title": "Enzo-E Exascale Astrophysics Simulator",
|
|
999
|
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"description": "Enzo-E is an exascale-oriented astrophysics and cosmology simulation code built on the Cello AMR framework for massively parallel hydrodynamics and structure-formation studies.",
|
|
1000
|
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"domains": [
|
|
1001
|
+
"astronomy_astrophysics",
|
|
1002
|
+
"computational_fluid_dynamics",
|
|
1003
|
+
"workflow_provenance"
|
|
1004
|
+
],
|
|
1005
|
+
"tags": [
|
|
1006
|
+
"astrophysics",
|
|
1007
|
+
"cosmology",
|
|
1008
|
+
"amr",
|
|
1009
|
+
"hpc",
|
|
1010
|
+
"hydrodynamics",
|
|
1011
|
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"simulation"
|
|
1012
|
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],
|
|
1013
|
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1014
|
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1015
|
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|
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1016
|
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|
|
1017
|
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|
|
1018
|
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},
|
|
1019
|
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{
|
|
1020
|
+
"package_id": "espresso",
|
|
1021
|
+
"title": "ESPResSo Soft-Matter Molecular Dynamics",
|
|
1022
|
+
"description": "ESPResSo is an extensible molecular dynamics engine for coarse-grained soft-matter systems, supporting advanced electrostatics, hydrodynamics coupling, and flexible Python-driven simulation workflows.",
|
|
1023
|
+
"domains": [
|
|
1024
|
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"molecular_dynamics",
|
|
1025
|
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|
|
1026
|
+
"workflow_provenance"
|
|
1027
|
+
],
|
|
1028
|
+
"tags": [
|
|
1029
|
+
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|
|
1030
|
+
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|
|
1031
|
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|
|
1032
|
+
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|
|
1033
|
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|
1034
|
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1035
|
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1036
|
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1037
|
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|
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1038
|
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|
|
1039
|
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|
|
1040
|
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|
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1041
|
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{
|
|
1042
|
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|
|
1043
|
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"title": "exoplanet Bayesian Exoplanet Inference Toolkit",
|
|
1044
|
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"description": "exoplanet provides fast, scalable probabilistic models for astronomical time-series, enabling Bayesian transit and radial-velocity inference for exoplanet systems using PyMC-based MCMC workflows.",
|
|
1045
|
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|
|
1046
|
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|
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1047
|
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|
|
1048
|
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|
|
1049
|
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|
|
1050
|
+
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|
|
1051
|
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|
1052
|
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|
1053
|
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1054
|
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1055
|
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|
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1057
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1058
|
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1059
|
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|
1060
|
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1061
|
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|
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1062
|
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{
|
|
1063
|
+
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|
|
1064
|
+
"title": "FairRoot Particle Physics Framework",
|
|
1065
|
+
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|
|
1066
|
+
"domains": [
|
|
1067
|
+
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|
|
1068
|
+
],
|
|
1069
|
+
"tags": [
|
|
1070
|
+
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|
|
1071
|
+
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|
|
1072
|
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"detector-simulation",
|
|
1073
|
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|
|
1074
|
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"root",
|
|
1075
|
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"geant"
|
|
1076
|
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],
|
|
1077
|
+
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|
|
1078
|
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|
|
1079
|
+
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|
|
1080
|
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"homepage_url": "http://fairroot.gsi.de",
|
|
1081
|
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"card": "references/packages/fairroot.md"
|
|
1082
|
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},
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|
1083
|
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{
|
|
1084
|
+
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|
|
1085
|
+
"title": "FBPIC Spectral Quasi-3D PIC",
|
|
1086
|
+
"description": "FBPIC is a Fourier-Bessel particle-in-cell simulator for relativistic plasma physics, optimized for laser and plasma wakefield acceleration studies on CPU and GPU.",
|
|
1087
|
+
"domains": [
|
|
1088
|
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"plasma_particle_simulation"
|
|
1089
|
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],
|
|
1090
|
+
"tags": [
|
|
1091
|
+
"plasma-physics",
|
|
1092
|
+
"particle-in-cell",
|
|
1093
|
+
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|
|
1094
|
+
"laser-plasma",
|
|
1095
|
+
"spectral-simulation",
|
|
1096
|
+
"gpu-simulation"
|
|
1097
|
+
],
|
|
1098
|
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|
|
1099
|
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|
|
1100
|
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"upstream_repo_url": "https://github.com/fbpic/fbpic",
|
|
1101
|
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"homepage_url": "http://fbpic.github.io",
|
|
1102
|
+
"card": "references/packages/fbpic.md"
|
|
1103
|
+
},
|
|
1104
|
+
{
|
|
1105
|
+
"package_id": "fdtdbath-meep",
|
|
1106
|
+
"title": "Modified Meep FDTD Electromagnetics Simulator for FDTD-Bath approach of condensed-phase polaritonics",
|
|
1107
|
+
"description": "The modified Meep code with standard meep functions + fdtd-bath implementation for condensed-phase polaritonics",
|
|
1108
|
+
"domains": [
|
|
1109
|
+
"electromagnetics"
|
|
1110
|
+
],
|
|
1111
|
+
"tags": [
|
|
1112
|
+
"electromagnetics",
|
|
1113
|
+
"fdtd",
|
|
1114
|
+
"photonics",
|
|
1115
|
+
"maxwell",
|
|
1116
|
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|
|
1117
|
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"wave-simulation"
|
|
1118
|
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],
|
|
1119
|
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|
|
1120
|
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|
|
1121
|
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|
|
1122
|
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"homepage_url": "https://github.com/TaoELi/fdtdbath-meep",
|
|
1123
|
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"card": "references/packages/fdtdbath-meep.md"
|
|
1124
|
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},
|
|
1125
|
+
{
|
|
1126
|
+
"package_id": "geant4",
|
|
1127
|
+
"title": "Geant4 Particle-Matter Simulation Toolkit",
|
|
1128
|
+
"description": "Geant4 is a C++ toolkit for Monte Carlo simulation of particle interactions with matter across detector design, radiation transport, medical physics, and space science applications.",
|
|
1129
|
+
"domains": [
|
|
1130
|
+
"high_energy_physics"
|
|
1131
|
+
],
|
|
1132
|
+
"tags": [
|
|
1133
|
+
"particle-physics",
|
|
1134
|
+
"monte-carlo",
|
|
1135
|
+
"radiation-transport",
|
|
1136
|
+
"detector-simulation",
|
|
1137
|
+
"medical-physics",
|
|
1138
|
+
"nuclear-physics"
|
|
1139
|
+
],
|
|
1140
|
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|
|
1141
|
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|
1142
|
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"upstream_repo_url": "https://github.com/Geant4/geant4",
|
|
1143
|
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"homepage_url": "https://geant4.org",
|
|
1144
|
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"card": "references/packages/geant4.md"
|
|
1145
|
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|
|
1146
|
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{
|
|
1147
|
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"package_id": "geosx",
|
|
1148
|
+
"title": "GEOSX Subsurface Multiphysics Framework",
|
|
1149
|
+
"description": "GEOSX is an open-source high-performance simulation framework for coupled subsurface flow, transport, and geomechanics, targeting carbon sequestration, geothermal energy, and large-scale reservoir modeling.",
|
|
1150
|
+
"domains": [
|
|
1151
|
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"finite_element_engineering",
|
|
1152
|
+
"workflow_provenance"
|
|
1153
|
+
],
|
|
1154
|
+
"tags": [
|
|
1155
|
+
"subsurface",
|
|
1156
|
+
"geomechanics",
|
|
1157
|
+
"multiphysics",
|
|
1158
|
+
"reservoir",
|
|
1159
|
+
"hpc",
|
|
1160
|
+
"carbon-sequestration",
|
|
1161
|
+
"geothermal"
|
|
1162
|
+
],
|
|
1163
|
+
"knowledge_url": "https://github.com/skilled-scipkg/GEOSX",
|
|
1164
|
+
"source_archive_url": "https://github.com/skilled-scipkg/GEOSX/archive/refs/heads/develop.zip",
|
|
1165
|
+
"upstream_repo_url": "https://github.com/EngSubsurfaceModeling/GEOSX",
|
|
1166
|
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|
|
1167
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1168
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1169
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{
|
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1170
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|
|
1171
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"title": "gprMax Ground Penetrating Radar Simulator",
|
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1172
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|
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1173
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|
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1174
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|
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1175
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1176
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|
|
1177
|
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|
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1178
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1179
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|
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1180
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|
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1181
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1182
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1183
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1184
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1185
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|
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1186
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1187
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1188
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1189
|
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{
|
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1190
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|
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1191
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|
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1192
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1193
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1194
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1195
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1196
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1197
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1198
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1199
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|
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1200
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1201
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1202
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1203
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1204
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1210
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1212
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{
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1213
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|
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1214
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"title": "GWASLab Summary Statistics Toolkit",
|
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1215
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|
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1216
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|
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1217
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1218
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1219
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|
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1220
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|
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1221
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1222
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|
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1223
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1224
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1225
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1226
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1227
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1228
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1229
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1230
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1231
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1232
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1233
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|
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1234
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"title": "Gazebo Sim (gz-sim)",
|
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1235
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1236
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1237
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|
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1238
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|
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1240
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1241
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|
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1242
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1243
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1244
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1245
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1247
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1249
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1250
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1251
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1252
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1253
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1254
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|
|
1255
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|
|
1256
|
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|
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1257
|
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1258
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|
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1259
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1260
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1261
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1262
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1263
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1264
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1265
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1266
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1267
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1268
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1269
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1270
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1271
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1272
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1273
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1274
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|
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1275
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|
|
1276
|
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|
|
1277
|
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1278
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1279
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1280
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1282
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1283
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|
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1284
|
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|
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1285
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|
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1286
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|
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1287
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1291
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1292
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1293
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1295
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1296
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|
|
1297
|
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1298
|
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1299
|
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|
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1300
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1301
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1302
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1303
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|
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1304
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1306
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1307
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1308
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1309
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1317
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1318
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|
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1319
|
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|
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1320
|
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1321
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1322
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1325
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1326
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1327
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1328
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1338
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1339
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1340
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1341
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|
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1359
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|
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1360
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1361
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1362
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1364
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1365
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1366
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1367
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1368
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1369
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1370
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1379
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1380
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1381
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1382
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1423
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"title": "KITE Quantum Transport Suite",
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1424
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1429
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1430
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1444
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|
1445
|
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|
|
1446
|
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|
1447
|
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|
1448
|
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|
|
1450
|
+
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|
|
1451
|
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|
|
1452
|
+
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|
|
1453
|
+
"multiphysics",
|
|
1454
|
+
"finite-element",
|
|
1455
|
+
"cfd",
|
|
1456
|
+
"structural-mechanics",
|
|
1457
|
+
"fsi",
|
|
1458
|
+
"hpc"
|
|
1459
|
+
],
|
|
1460
|
+
"knowledge_url": "https://github.com/skilled-scipkg/Kratos",
|
|
1461
|
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"source_archive_url": "https://github.com/skilled-scipkg/Kratos/archive/refs/heads/master.zip",
|
|
1462
|
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"upstream_repo_url": "https://github.com/KratosMultiphysics/Kratos",
|
|
1463
|
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"homepage_url": "https://kratosmultiphysics.github.io/Kratos/",
|
|
1464
|
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|
|
1465
|
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},
|
|
1466
|
+
{
|
|
1467
|
+
"package_id": "kwant",
|
|
1468
|
+
"title": "Kwant Quantum Transport Toolkit",
|
|
1469
|
+
"description": "Kwant is an open-source Python package for numerical calculations on tight-binding models with a strong focus on quantum transport in mesoscopic systems.",
|
|
1470
|
+
"domains": [
|
|
1471
|
+
"quantum_chemistry",
|
|
1472
|
+
"plasma_particle_simulation"
|
|
1473
|
+
],
|
|
1474
|
+
"tags": [
|
|
1475
|
+
"quantum-transport",
|
|
1476
|
+
"tight-binding",
|
|
1477
|
+
"mesoscopic-physics",
|
|
1478
|
+
"condensed-matter",
|
|
1479
|
+
"nanodevices",
|
|
1480
|
+
"quantum-simulation"
|
|
1481
|
+
],
|
|
1482
|
+
"knowledge_url": "https://github.com/skilled-scipkg/kwant",
|
|
1483
|
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|
|
1484
|
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"upstream_repo_url": "https://github.com/kwant-project/kwant",
|
|
1485
|
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"homepage_url": "https://kwant-project.org/",
|
|
1486
|
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"card": "references/packages/kwant.md"
|
|
1487
|
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|
|
1488
|
+
{
|
|
1489
|
+
"package_id": "lammps",
|
|
1490
|
+
"title": "LAMMPS Molecular Dynamics",
|
|
1491
|
+
"description": "LAMMPS is a high-performance molecular dynamics package for atomistic and coarse-grained simulations of materials, soft matter, and related many-particle systems.",
|
|
1492
|
+
"domains": [
|
|
1493
|
+
"molecular_dynamics",
|
|
1494
|
+
"materials_science",
|
|
1495
|
+
"workflow_provenance"
|
|
1496
|
+
],
|
|
1497
|
+
"tags": [
|
|
1498
|
+
"molecular-dynamics",
|
|
1499
|
+
"atomistic-simulation",
|
|
1500
|
+
"materials-science",
|
|
1501
|
+
"hpc",
|
|
1502
|
+
"classical-md"
|
|
1503
|
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],
|
|
1504
|
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"knowledge_url": "https://github.com/skilled-scipkg/lammps",
|
|
1505
|
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"source_archive_url": "https://github.com/skilled-scipkg/lammps/archive/refs/heads/develop.zip",
|
|
1506
|
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"upstream_repo_url": "https://github.com/lammps/lammps",
|
|
1507
|
+
"homepage_url": "https://www.lammps.org",
|
|
1508
|
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"card": "references/packages/lammps.md"
|
|
1509
|
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},
|
|
1510
|
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{
|
|
1511
|
+
"package_id": "lightkurve",
|
|
1512
|
+
"title": "Lightkurve Kepler and TESS Light-Curve Analysis",
|
|
1513
|
+
"description": "Lightkurve offers user-friendly tools to retrieve, clean, visualize, and analyze Kepler and TESS astronomical flux time series, including light curves and target pixel files for exoplanet and stellar variability studies.",
|
|
1514
|
+
"domains": [
|
|
1515
|
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|
|
1516
|
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],
|
|
1517
|
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"tags": [
|
|
1518
|
+
"astronomy",
|
|
1519
|
+
"photometry",
|
|
1520
|
+
"time-series",
|
|
1521
|
+
"exoplanets",
|
|
1522
|
+
"kepler",
|
|
1523
|
+
"tess"
|
|
1524
|
+
],
|
|
1525
|
+
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|
|
1526
|
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"source_archive_url": "https://github.com/skilled-scipkg/lightkurve/archive/refs/heads/main.zip",
|
|
1527
|
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"upstream_repo_url": "https://github.com/lightkurve/lightkurve",
|
|
1528
|
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"homepage_url": "https://lightkurve.github.io/lightkurve/",
|
|
1529
|
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"card": "references/packages/lightkurve.md"
|
|
1530
|
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},
|
|
1531
|
+
{
|
|
1532
|
+
"package_id": "limix",
|
|
1533
|
+
"title": "LIMIX Genomic Linear Mixed Models",
|
|
1534
|
+
"description": "LIMIX provides efficient linear mixed model methods for genomic association, interaction, and variance decomposition analyses, supporting workflows such as single-variant tests, set tests, and eQTL-style statistical genetics studies.",
|
|
1535
|
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"domains": [
|
|
1536
|
+
"bioinformatics",
|
|
1537
|
+
"workflow_provenance"
|
|
1538
|
+
],
|
|
1539
|
+
"tags": [
|
|
1540
|
+
"genomics",
|
|
1541
|
+
"statistical-genetics",
|
|
1542
|
+
"linear-mixed-models",
|
|
1543
|
+
"gwas",
|
|
1544
|
+
"eqtl",
|
|
1545
|
+
"association-testing"
|
|
1546
|
+
],
|
|
1547
|
+
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|
|
1548
|
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"source_archive_url": "https://github.com/skilled-scipkg/limix/archive/refs/heads/master.zip",
|
|
1549
|
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|
|
1550
|
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"homepage_url": "https://github.com/limix/limix",
|
|
1551
|
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"card": "references/packages/limix.md"
|
|
1552
|
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},
|
|
1553
|
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{
|
|
1554
|
+
"package_id": "maxwelllink",
|
|
1555
|
+
"title": "MaxwellLink Light-Matter Co-Simulation",
|
|
1556
|
+
"description": "MaxwellLink is a modular Python framework for self-consistent electromagnetic molecular co-simulation, coupling EM solvers with quantum, force-field, and first-principles molecular dynamics drivers.",
|
|
1557
|
+
"domains": [
|
|
1558
|
+
"molecular_dynamics",
|
|
1559
|
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"electromagnetics",
|
|
1560
|
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"workflow_provenance"
|
|
1561
|
+
],
|
|
1562
|
+
"tags": [
|
|
1563
|
+
"light-matter",
|
|
1564
|
+
"electrodynamics",
|
|
1565
|
+
"multiphysics",
|
|
1566
|
+
"molecular-dynamics",
|
|
1567
|
+
"quantum-dynamics",
|
|
1568
|
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"hpc"
|
|
1569
|
+
],
|
|
1570
|
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"knowledge_url": "https://github.com/skilled-scipkg/MaxwellLink",
|
|
1571
|
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"source_archive_url": "https://github.com/skilled-scipkg/MaxwellLink/archive/refs/heads/main.zip",
|
|
1572
|
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"upstream_repo_url": "https://github.com/TaoELi/MaxwellLink",
|
|
1573
|
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"homepage_url": "https://taoeli.github.io/MaxwellLink/",
|
|
1574
|
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"card": "references/packages/maxwelllink.md"
|
|
1575
|
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},
|
|
1576
|
+
{
|
|
1577
|
+
"package_id": "mcdc",
|
|
1578
|
+
"title": "MC/DC Neutron Transport",
|
|
1579
|
+
"description": "MC/DC is a scalable Monte Carlo neutron transport package for fully transient reactor and radiation simulations, enabling rapid methods development with performant, machine-portable Python implementations.",
|
|
1580
|
+
"domains": [
|
|
1581
|
+
"high_energy_physics"
|
|
1582
|
+
],
|
|
1583
|
+
"tags": [
|
|
1584
|
+
"neutron-transport",
|
|
1585
|
+
"monte-carlo",
|
|
1586
|
+
"reactor-physics",
|
|
1587
|
+
"radiation-transport",
|
|
1588
|
+
"computational-physics"
|
|
1589
|
+
],
|
|
1590
|
+
"knowledge_url": "https://github.com/skilled-scipkg/MCDC",
|
|
1591
|
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"source_archive_url": "https://github.com/skilled-scipkg/MCDC/archive/refs/heads/dev.zip",
|
|
1592
|
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"upstream_repo_url": "https://github.com/CEMeNT-PSAAP/MCDC",
|
|
1593
|
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"homepage_url": "https://mcdc.readthedocs.io/en/latest/",
|
|
1594
|
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"card": "references/packages/mcdc.md"
|
|
1595
|
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},
|
|
1596
|
+
{
|
|
1597
|
+
"package_id": "meep",
|
|
1598
|
+
"title": "Meep Electromagnetic FDTD Simulator",
|
|
1599
|
+
"description": "Meep is an open-source finite-difference time-domain simulator for modeling electromagnetic wave propagation, resonances, and scattering in photonic structures across 1D, 2D, 3D, and cylindrical geometries.",
|
|
1600
|
+
"domains": [
|
|
1601
|
+
"electromagnetics"
|
|
1602
|
+
],
|
|
1603
|
+
"tags": [
|
|
1604
|
+
"electromagnetics",
|
|
1605
|
+
"fdtd",
|
|
1606
|
+
"photonics",
|
|
1607
|
+
"nanophotonics",
|
|
1608
|
+
"maxwell",
|
|
1609
|
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"wave-optics"
|
|
1610
|
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],
|
|
1611
|
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|
|
1612
|
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"source_archive_url": "https://github.com/skilled-scipkg/meep/archive/refs/heads/master.zip",
|
|
1613
|
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|
|
1614
|
+
"homepage_url": "https://github.com/NanoComp/meep",
|
|
1615
|
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"card": "references/packages/meep.md"
|
|
1616
|
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},
|
|
1617
|
+
{
|
|
1618
|
+
"package_id": "mfem",
|
|
1619
|
+
"title": "MFEM Finite Element Library",
|
|
1620
|
+
"description": "MFEM is a modular, scalable C++ finite element library for high-order PDE discretization, adaptive meshing, and MPI/GPU-enabled scientific simulation from laptops to supercomputers.",
|
|
1621
|
+
"domains": [
|
|
1622
|
+
"computational_fluid_dynamics",
|
|
1623
|
+
"finite_element_engineering",
|
|
1624
|
+
"workflow_provenance"
|
|
1625
|
+
],
|
|
1626
|
+
"tags": [
|
|
1627
|
+
"finite-element",
|
|
1628
|
+
"pde",
|
|
1629
|
+
"scientific-computing",
|
|
1630
|
+
"hpc",
|
|
1631
|
+
"cpp",
|
|
1632
|
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"amr"
|
|
1633
|
+
],
|
|
1634
|
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"knowledge_url": "https://github.com/skilled-scipkg/mfem",
|
|
1635
|
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|
|
1636
|
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"upstream_repo_url": "https://github.com/mfem/mfem",
|
|
1637
|
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"homepage_url": "http://mfem.org",
|
|
1638
|
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"card": "references/packages/mfem.md"
|
|
1639
|
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},
|
|
1640
|
+
{
|
|
1641
|
+
"package_id": "mitgcm",
|
|
1642
|
+
"title": "MIT General Circulation Model (MITgcm)",
|
|
1643
|
+
"description": "MITgcm is a flexible geophysical fluid dynamics package for simulating ocean and atmospheric circulation, with coupled ocean sea ice and climate process capabilities.",
|
|
1644
|
+
"domains": [
|
|
1645
|
+
"computational_fluid_dynamics"
|
|
1646
|
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],
|
|
1647
|
+
"tags": [
|
|
1648
|
+
"mitgcm",
|
|
1649
|
+
"ocean-model",
|
|
1650
|
+
"climate-model",
|
|
1651
|
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"atmospheric-circulation",
|
|
1652
|
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"geophysical-fluids",
|
|
1653
|
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"sea-ice"
|
|
1654
|
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],
|
|
1655
|
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|
|
1656
|
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"source_archive_url": "https://github.com/skilled-scipkg/MITgcm/archive/refs/heads/master.zip",
|
|
1657
|
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|
|
1658
|
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"homepage_url": "http://mitgcm.org/",
|
|
1659
|
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"card": "references/packages/mitgcm.md"
|
|
1660
|
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},
|
|
1661
|
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{
|
|
1662
|
+
"package_id": "modflow6",
|
|
1663
|
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"title": "MODFLOW 6 Groundwater Model",
|
|
1664
|
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"description": "MODFLOW 6 is the USGS modular hydrologic simulator for groundwater flow and transport, supporting integrated surface-water interactions, time-varying stresses, and extensible packages for basin-scale hydrogeologic modeling.",
|
|
1665
|
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"domains": [
|
|
1666
|
+
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|
|
1667
|
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],
|
|
1668
|
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"tags": [
|
|
1669
|
+
"groundwater",
|
|
1670
|
+
"hydrology",
|
|
1671
|
+
"hydrogeology",
|
|
1672
|
+
"usgs",
|
|
1673
|
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"modflow",
|
|
1674
|
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"aquifer-modeling"
|
|
1675
|
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],
|
|
1676
|
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"knowledge_url": "https://github.com/skilled-scipkg/modflow6",
|
|
1677
|
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"source_archive_url": "https://github.com/skilled-scipkg/modflow6/archive/refs/heads/develop.zip",
|
|
1678
|
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"upstream_repo_url": "https://github.com/MODFLOW-ORG/modflow6",
|
|
1679
|
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"homepage_url": "https://modflow6.readthedocs.io/",
|
|
1680
|
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"card": "references/packages/modflow6.md"
|
|
1681
|
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},
|
|
1682
|
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{
|
|
1683
|
+
"package_id": "molecool",
|
|
1684
|
+
"title": "MoleCool Molecular Laser Cooling Simulator",
|
|
1685
|
+
"description": "MoleCool simulates laser-driven molecular dynamics and spectra, combining optical Bloch and rate-equation solvers, cooling-force mapping, and Monte Carlo trajectories for AMO cooling and trapping experiment design.",
|
|
1686
|
+
"domains": [
|
|
1687
|
+
"molecular_dynamics",
|
|
1688
|
+
"high_energy_physics"
|
|
1689
|
+
],
|
|
1690
|
+
"tags": [
|
|
1691
|
+
"amo-physics",
|
|
1692
|
+
"laser-cooling",
|
|
1693
|
+
"molecular-spectroscopy",
|
|
1694
|
+
"optical-bloch",
|
|
1695
|
+
"rate-equations",
|
|
1696
|
+
"monte-carlo"
|
|
1697
|
+
],
|
|
1698
|
+
"knowledge_url": "https://github.com/skilled-scipkg/MoleCool",
|
|
1699
|
+
"source_archive_url": "https://github.com/skilled-scipkg/MoleCool/archive/refs/heads/master.zip",
|
|
1700
|
+
"upstream_repo_url": "https://github.com/LangenGroup/MoleCool",
|
|
1701
|
+
"homepage_url": "https://arxiv.org/abs/2510.16203",
|
|
1702
|
+
"card": "references/packages/molecool.md"
|
|
1703
|
+
},
|
|
1704
|
+
{
|
|
1705
|
+
"package_id": "mom6",
|
|
1706
|
+
"title": "MOM6 Modular Ocean Model",
|
|
1707
|
+
"description": "Modular Ocean Model (MOM6) is a finite-volume ocean general circulation model for ocean-only and coupled climate simulations, supporting tracer transport, stratified dynamics, and realistic large-scale ocean process studies.",
|
|
1708
|
+
"domains": [
|
|
1709
|
+
"computational_science"
|
|
1710
|
+
],
|
|
1711
|
+
"tags": [
|
|
1712
|
+
"ocean-modeling",
|
|
1713
|
+
"climate-modeling",
|
|
1714
|
+
"ocean-circulation",
|
|
1715
|
+
"geophysical-fluid-dynamics",
|
|
1716
|
+
"earth-system"
|
|
1717
|
+
],
|
|
1718
|
+
"knowledge_url": "https://github.com/skilled-scipkg/MOM6",
|
|
1719
|
+
"source_archive_url": "https://github.com/skilled-scipkg/MOM6/archive/refs/heads/main.zip",
|
|
1720
|
+
"upstream_repo_url": "https://github.com/mom-ocean/MOM6",
|
|
1721
|
+
"homepage_url": "https://github.com/mom-ocean/MOM6",
|
|
1722
|
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"card": "references/packages/mom6.md"
|
|
1723
|
+
},
|
|
1724
|
+
{
|
|
1725
|
+
"package_id": "moose",
|
|
1726
|
+
"title": "MOOSE Multiphysics Framework",
|
|
1727
|
+
"description": "MOOSE is an object-oriented finite-element framework for fully coupled implicit multiphysics simulations with adaptive meshing, scalable parallel solvers, and engineering-focused APIs.",
|
|
1728
|
+
"domains": [
|
|
1729
|
+
"computational_fluid_dynamics",
|
|
1730
|
+
"finite_element_engineering",
|
|
1731
|
+
"workflow_provenance"
|
|
1732
|
+
],
|
|
1733
|
+
"tags": [
|
|
1734
|
+
"multiphysics",
|
|
1735
|
+
"finite-element",
|
|
1736
|
+
"pde",
|
|
1737
|
+
"simulation",
|
|
1738
|
+
"hpc",
|
|
1739
|
+
"engineering"
|
|
1740
|
+
],
|
|
1741
|
+
"knowledge_url": "https://github.com/skilled-scipkg/moose",
|
|
1742
|
+
"source_archive_url": "https://github.com/skilled-scipkg/moose/archive/refs/heads/next.zip",
|
|
1743
|
+
"upstream_repo_url": "https://github.com/idaholab/moose",
|
|
1744
|
+
"homepage_url": "https://mooseframework.inl.gov",
|
|
1745
|
+
"card": "references/packages/moose.md"
|
|
1746
|
+
},
|
|
1747
|
+
{
|
|
1748
|
+
"package_id": "mpas-model",
|
|
1749
|
+
"title": "MPAS Model for Prediction Across Scales",
|
|
1750
|
+
"description": "MPAS-Model is an unstructured-mesh earth system modeling framework for atmosphere, ocean, sea ice, and land ice simulations used in climate, regional climate, and weather research.",
|
|
1751
|
+
"domains": [
|
|
1752
|
+
"computational_science"
|
|
1753
|
+
],
|
|
1754
|
+
"tags": [
|
|
1755
|
+
"mpas",
|
|
1756
|
+
"climate-modeling",
|
|
1757
|
+
"earth-system",
|
|
1758
|
+
"atmosphere",
|
|
1759
|
+
"ocean",
|
|
1760
|
+
"sea-ice",
|
|
1761
|
+
"weather-modeling"
|
|
1762
|
+
],
|
|
1763
|
+
"knowledge_url": "https://github.com/skilled-scipkg/MPAS-Model",
|
|
1764
|
+
"source_archive_url": "https://github.com/skilled-scipkg/MPAS-Model/archive/refs/heads/master.zip",
|
|
1765
|
+
"upstream_repo_url": "https://github.com/MPAS-Dev/MPAS-Model",
|
|
1766
|
+
"homepage_url": "https://github.com/MPAS-Dev/MPAS-Model",
|
|
1767
|
+
"card": "references/packages/mpas-model.md"
|
|
1768
|
+
},
|
|
1769
|
+
{
|
|
1770
|
+
"package_id": "mujoco",
|
|
1771
|
+
"title": "MuJoCo Physics Simulator",
|
|
1772
|
+
"description": "MuJoCo is a high-performance multi-joint rigid-body physics engine for contact-rich simulation in robotics, biomechanics, control, and differentiable dynamics research.",
|
|
1773
|
+
"domains": [
|
|
1774
|
+
"robotics_physics"
|
|
1775
|
+
],
|
|
1776
|
+
"tags": [
|
|
1777
|
+
"physics-simulation",
|
|
1778
|
+
"robotics",
|
|
1779
|
+
"rigid-body-dynamics",
|
|
1780
|
+
"contact-dynamics",
|
|
1781
|
+
"biomechanics",
|
|
1782
|
+
"optimal-control"
|
|
1783
|
+
],
|
|
1784
|
+
"knowledge_url": "https://github.com/skilled-scipkg/mujoco",
|
|
1785
|
+
"source_archive_url": "https://github.com/skilled-scipkg/mujoco/archive/refs/heads/main.zip",
|
|
1786
|
+
"upstream_repo_url": "https://github.com/google-deepmind/mujoco",
|
|
1787
|
+
"homepage_url": "https://mujoco.org",
|
|
1788
|
+
"card": "references/packages/mujoco.md"
|
|
1789
|
+
},
|
|
1790
|
+
{
|
|
1791
|
+
"package_id": "mumax3",
|
|
1792
|
+
"title": "MuMax3 Micromagnetic Simulator",
|
|
1793
|
+
"description": "MuMax3 is a GPU-accelerated micromagnetic simulation package for modeling magnetization dynamics, spintronic effects, and nanomagnetic device behavior using Landau-Lifshitz-Gilbert equation solvers.",
|
|
1794
|
+
"domains": [
|
|
1795
|
+
"computational_science"
|
|
1796
|
+
],
|
|
1797
|
+
"tags": [
|
|
1798
|
+
"micromagnetics",
|
|
1799
|
+
"gpu",
|
|
1800
|
+
"spintronics",
|
|
1801
|
+
"nanomagnetism",
|
|
1802
|
+
"magnetization"
|
|
1803
|
+
],
|
|
1804
|
+
"knowledge_url": "https://github.com/skilled-scipkg/3",
|
|
1805
|
+
"source_archive_url": "https://github.com/skilled-scipkg/3/archive/refs/heads/master.zip",
|
|
1806
|
+
"upstream_repo_url": "https://github.com/mumax/3",
|
|
1807
|
+
"homepage_url": "https://github.com/mumax/3",
|
|
1808
|
+
"card": "references/packages/mumax3.md"
|
|
1809
|
+
},
|
|
1810
|
+
{
|
|
1811
|
+
"package_id": "nekrs",
|
|
1812
|
+
"title": "nekRS CFD Solver",
|
|
1813
|
+
"description": "nekRS is a GPU-accelerated high-order spectral-element computational fluid dynamics solver for incompressible and low-Mach Navier-Stokes flows on massively parallel HPC systems.",
|
|
1814
|
+
"domains": [
|
|
1815
|
+
"computational_fluid_dynamics",
|
|
1816
|
+
"workflow_provenance"
|
|
1817
|
+
],
|
|
1818
|
+
"tags": [
|
|
1819
|
+
"cfd",
|
|
1820
|
+
"hpc",
|
|
1821
|
+
"gpu",
|
|
1822
|
+
"spectral-elements",
|
|
1823
|
+
"navier-stokes",
|
|
1824
|
+
"fluid-dynamics"
|
|
1825
|
+
],
|
|
1826
|
+
"knowledge_url": "https://github.com/skilled-scipkg/nekRS",
|
|
1827
|
+
"source_archive_url": "https://github.com/skilled-scipkg/nekRS/archive/refs/heads/master.zip",
|
|
1828
|
+
"upstream_repo_url": "https://github.com/Nek5000/nekRS",
|
|
1829
|
+
"homepage_url": "https://nek5000.mcs.anl.gov/",
|
|
1830
|
+
"card": "references/packages/nekrs.md"
|
|
1831
|
+
},
|
|
1832
|
+
{
|
|
1833
|
+
"package_id": "nessi",
|
|
1834
|
+
"title": "NESSi Non-Equilibrium Systems Simulation",
|
|
1835
|
+
"description": "NESSi is an open-source package for simulating nonequilibrium many-body dynamics using contour-ordered Green's functions on the Kadanoff-Baym contour with equation-of-motion solvers and scalable reciprocal-space parallelization.",
|
|
1836
|
+
"domains": [
|
|
1837
|
+
"computational_science"
|
|
1838
|
+
],
|
|
1839
|
+
"tags": [
|
|
1840
|
+
"many-body-physics",
|
|
1841
|
+
"nonequilibrium",
|
|
1842
|
+
"green-functions",
|
|
1843
|
+
"quantum-dynamics",
|
|
1844
|
+
"kadanoff-baym",
|
|
1845
|
+
"condensed-matter"
|
|
1846
|
+
],
|
|
1847
|
+
"knowledge_url": "https://github.com/skilled-scipkg/nessi",
|
|
1848
|
+
"source_archive_url": "https://github.com/skilled-scipkg/nessi/archive/refs/heads/master.zip",
|
|
1849
|
+
"upstream_repo_url": "https://github.com/nessi-cntr/nessi",
|
|
1850
|
+
"homepage_url": "https://github.com/nessi-cntr/nessi",
|
|
1851
|
+
"card": "references/packages/nessi.md"
|
|
1852
|
+
},
|
|
1853
|
+
{
|
|
1854
|
+
"package_id": "nest-simulator",
|
|
1855
|
+
"title": "NEST Spiking Neural Network Simulator",
|
|
1856
|
+
"description": "NEST is a scalable simulator for large spiking neural networks, supporting diverse neuron and synapse models to study cortical dynamics, plasticity, and electrophysiology-inspired experiments.",
|
|
1857
|
+
"domains": [
|
|
1858
|
+
"computational_neuroscience"
|
|
1859
|
+
],
|
|
1860
|
+
"tags": [
|
|
1861
|
+
"computational-neuroscience",
|
|
1862
|
+
"spiking-networks",
|
|
1863
|
+
"neural-simulation",
|
|
1864
|
+
"synaptic-plasticity",
|
|
1865
|
+
"brain-network-modeling"
|
|
1866
|
+
],
|
|
1867
|
+
"knowledge_url": "https://github.com/skilled-scipkg/nest-simulator",
|
|
1868
|
+
"source_archive_url": "https://github.com/skilled-scipkg/nest-simulator/archive/refs/heads/master.zip",
|
|
1869
|
+
"upstream_repo_url": "https://github.com/nest/nest-simulator",
|
|
1870
|
+
"homepage_url": "http://www.nest-simulator.org",
|
|
1871
|
+
"card": "references/packages/nest-simulator.md"
|
|
1872
|
+
},
|
|
1873
|
+
{
|
|
1874
|
+
"package_id": "netket",
|
|
1875
|
+
"title": "NetKet Quantum Many-Body ML",
|
|
1876
|
+
"description": "NetKet is a Python library for variational and machine-learning methods in many-body quantum physics, supporting neural quantum states, Monte Carlo sampling, and optimization of lattice Hamiltonian ground states and dynamics.",
|
|
1877
|
+
"domains": [
|
|
1878
|
+
"high_energy_physics"
|
|
1879
|
+
],
|
|
1880
|
+
"tags": [
|
|
1881
|
+
"quantum-physics",
|
|
1882
|
+
"many-body",
|
|
1883
|
+
"variational-monte-carlo",
|
|
1884
|
+
"neural-quantum-states",
|
|
1885
|
+
"computational-physics"
|
|
1886
|
+
],
|
|
1887
|
+
"knowledge_url": "https://github.com/skilled-scipkg/netket",
|
|
1888
|
+
"source_archive_url": "https://github.com/skilled-scipkg/netket/archive/refs/heads/main.zip",
|
|
1889
|
+
"upstream_repo_url": "https://github.com/netket/netket",
|
|
1890
|
+
"homepage_url": "https://www.netket.org",
|
|
1891
|
+
"card": "references/packages/netket.md"
|
|
1892
|
+
},
|
|
1893
|
+
{
|
|
1894
|
+
"package_id": "neuron",
|
|
1895
|
+
"title": "NEURON Neural Simulator",
|
|
1896
|
+
"description": "NEURON is a scientific simulator for biophysical neuron and neural network models, supporting multicompartment electrophysiology, synaptic mechanisms, and MOD-defined ion-channel dynamics for computational neuroscience research.",
|
|
1897
|
+
"domains": [
|
|
1898
|
+
"computational_neuroscience"
|
|
1899
|
+
],
|
|
1900
|
+
"tags": [
|
|
1901
|
+
"computational-neuroscience",
|
|
1902
|
+
"neuron-modeling",
|
|
1903
|
+
"electrophysiology",
|
|
1904
|
+
"biophysical-simulation",
|
|
1905
|
+
"neural-networks"
|
|
1906
|
+
],
|
|
1907
|
+
"knowledge_url": "https://github.com/skilled-scipkg/nrn",
|
|
1908
|
+
"source_archive_url": "https://github.com/skilled-scipkg/nrn/archive/refs/heads/master.zip",
|
|
1909
|
+
"upstream_repo_url": "https://github.com/neuronsimulator/nrn",
|
|
1910
|
+
"homepage_url": "http://nrn.readthedocs.io",
|
|
1911
|
+
"card": "references/packages/neuron.md"
|
|
1912
|
+
},
|
|
1913
|
+
{
|
|
1914
|
+
"package_id": "nextflow",
|
|
1915
|
+
"title": "Nextflow Scientific Workflow Engine",
|
|
1916
|
+
"description": "Nextflow is a dataflow-driven DSL and runtime for building reproducible, portable scientific pipelines that scale from laptops to HPC schedulers and cloud batch systems.",
|
|
1917
|
+
"domains": [
|
|
1918
|
+
"bioinformatics",
|
|
1919
|
+
"workflow_provenance"
|
|
1920
|
+
],
|
|
1921
|
+
"tags": [
|
|
1922
|
+
"workflow",
|
|
1923
|
+
"pipelines",
|
|
1924
|
+
"bioinformatics",
|
|
1925
|
+
"genomics",
|
|
1926
|
+
"hpc",
|
|
1927
|
+
"reproducibility"
|
|
1928
|
+
],
|
|
1929
|
+
"knowledge_url": "https://github.com/skilled-scipkg/nextflow",
|
|
1930
|
+
"source_archive_url": "https://github.com/skilled-scipkg/nextflow/archive/refs/heads/master.zip",
|
|
1931
|
+
"upstream_repo_url": "https://github.com/nextflow-io/nextflow",
|
|
1932
|
+
"homepage_url": "http://nextflow.io",
|
|
1933
|
+
"card": "references/packages/nextflow.md"
|
|
1934
|
+
},
|
|
1935
|
+
{
|
|
1936
|
+
"package_id": "nwchem",
|
|
1937
|
+
"title": "NWChem Computational Chemistry",
|
|
1938
|
+
"description": "NWChem is a high-performance computational chemistry package for scalable ab initio and molecular simulations, including quantum electronic structure, molecular dynamics, and spectroscopy on HPC systems.",
|
|
1939
|
+
"domains": [
|
|
1940
|
+
"quantum_chemistry",
|
|
1941
|
+
"computational_chemistry",
|
|
1942
|
+
"molecular_dynamics",
|
|
1943
|
+
"workflow_provenance"
|
|
1944
|
+
],
|
|
1945
|
+
"tags": [
|
|
1946
|
+
"computational-chemistry",
|
|
1947
|
+
"quantum-chemistry",
|
|
1948
|
+
"electronic-structure",
|
|
1949
|
+
"molecular-dynamics",
|
|
1950
|
+
"hpc",
|
|
1951
|
+
"ab-initio"
|
|
1952
|
+
],
|
|
1953
|
+
"knowledge_url": "https://github.com/skilled-scipkg/nwchem",
|
|
1954
|
+
"source_archive_url": "https://github.com/skilled-scipkg/nwchem/archive/refs/heads/master.zip",
|
|
1955
|
+
"upstream_repo_url": "https://github.com/nwchemgit/nwchem",
|
|
1956
|
+
"homepage_url": "http://nwchemgit.github.io",
|
|
1957
|
+
"card": "references/packages/nwchem.md"
|
|
1958
|
+
},
|
|
1959
|
+
{
|
|
1960
|
+
"package_id": "openbabel",
|
|
1961
|
+
"title": "Open Babel",
|
|
1962
|
+
"description": "Open Babel is an open-source chemical toolbox for converting, searching, and analyzing molecular and materials data across many cheminformatics file formats.",
|
|
1963
|
+
"domains": [
|
|
1964
|
+
"computational_chemistry",
|
|
1965
|
+
"bioinformatics"
|
|
1966
|
+
],
|
|
1967
|
+
"tags": [
|
|
1968
|
+
"cheminformatics",
|
|
1969
|
+
"chemistry",
|
|
1970
|
+
"molecular-data",
|
|
1971
|
+
"file-conversion",
|
|
1972
|
+
"smiles",
|
|
1973
|
+
"inchi"
|
|
1974
|
+
],
|
|
1975
|
+
"knowledge_url": "https://github.com/skilled-scipkg/openbabel",
|
|
1976
|
+
"source_archive_url": "https://github.com/skilled-scipkg/openbabel/archive/refs/heads/master.zip",
|
|
1977
|
+
"upstream_repo_url": "https://github.com/openbabel/openbabel",
|
|
1978
|
+
"homepage_url": "http://openbabel.org/",
|
|
1979
|
+
"card": "references/packages/openbabel.md"
|
|
1980
|
+
},
|
|
1981
|
+
{
|
|
1982
|
+
"package_id": "openems",
|
|
1983
|
+
"title": "openEMS Electromagnetic Solver",
|
|
1984
|
+
"description": "openEMS is an open-source EC-FDTD electromagnetic field solver for simulating antennas, RF and microwave structures, and wave propagation in three-dimensional computational electromagnetics workflows.",
|
|
1985
|
+
"domains": [
|
|
1986
|
+
"electromagnetics",
|
|
1987
|
+
"workflow_provenance"
|
|
1988
|
+
],
|
|
1989
|
+
"tags": [
|
|
1990
|
+
"electromagnetics",
|
|
1991
|
+
"fdtd",
|
|
1992
|
+
"rf",
|
|
1993
|
+
"microwave",
|
|
1994
|
+
"antenna",
|
|
1995
|
+
"simulation"
|
|
1996
|
+
],
|
|
1997
|
+
"knowledge_url": "https://github.com/skilled-scipkg/openEMS",
|
|
1998
|
+
"source_archive_url": "https://github.com/skilled-scipkg/openEMS/archive/refs/heads/master.zip",
|
|
1999
|
+
"upstream_repo_url": "https://github.com/thliebig/openEMS",
|
|
2000
|
+
"homepage_url": "http://openEMS.de",
|
|
2001
|
+
"card": "references/packages/openems.md"
|
|
2002
|
+
},
|
|
2003
|
+
{
|
|
2004
|
+
"package_id": "openff-toolkit",
|
|
2005
|
+
"title": "Open Force Field Toolkit",
|
|
2006
|
+
"description": "Python toolkit for applying and developing SMIRNOFF molecular mechanics force fields with direct chemical perception, parameter assignment, and cheminformatics workflows for small molecules.",
|
|
2007
|
+
"domains": [
|
|
2008
|
+
"computational_chemistry",
|
|
2009
|
+
"bioinformatics",
|
|
2010
|
+
"workflow_provenance"
|
|
2011
|
+
],
|
|
2012
|
+
"tags": [
|
|
2013
|
+
"computational-chemistry",
|
|
2014
|
+
"molecular-mechanics",
|
|
2015
|
+
"force-fields",
|
|
2016
|
+
"cheminformatics",
|
|
2017
|
+
"parameterization"
|
|
2018
|
+
],
|
|
2019
|
+
"knowledge_url": "https://github.com/skilled-scipkg/openff-toolkit",
|
|
2020
|
+
"source_archive_url": "https://github.com/skilled-scipkg/openff-toolkit/archive/refs/heads/main.zip",
|
|
2021
|
+
"upstream_repo_url": "https://github.com/openforcefield/openff-toolkit",
|
|
2022
|
+
"homepage_url": "http://openforcefield.org",
|
|
2023
|
+
"card": "references/packages/openff-toolkit.md"
|
|
2024
|
+
},
|
|
2025
|
+
{
|
|
2026
|
+
"package_id": "openfoam-dev",
|
|
2027
|
+
"title": "OpenFOAM-dev CFD Platform",
|
|
2028
|
+
"description": "OpenFOAM-dev is the OpenFOAM Foundation development codebase for finite-volume CFD and multiphysics simulation, supporting incompressible and compressible flow, turbulence, heat transfer, and extensible solver workflows.",
|
|
2029
|
+
"domains": [
|
|
2030
|
+
"computational_fluid_dynamics",
|
|
2031
|
+
"workflow_provenance"
|
|
2032
|
+
],
|
|
2033
|
+
"tags": [
|
|
2034
|
+
"cfd",
|
|
2035
|
+
"finite-volume",
|
|
2036
|
+
"multiphysics",
|
|
2037
|
+
"turbulence",
|
|
2038
|
+
"meshing",
|
|
2039
|
+
"openfoam"
|
|
2040
|
+
],
|
|
2041
|
+
"knowledge_url": "https://github.com/skilled-scipkg/OpenFOAM-dev",
|
|
2042
|
+
"source_archive_url": "https://github.com/skilled-scipkg/OpenFOAM-dev/archive/refs/heads/master.zip",
|
|
2043
|
+
"upstream_repo_url": "https://github.com/OpenFOAM/OpenFOAM-dev",
|
|
2044
|
+
"homepage_url": "https://openfoam.org",
|
|
2045
|
+
"card": "references/packages/openfoam-dev.md"
|
|
2046
|
+
},
|
|
2047
|
+
{
|
|
2048
|
+
"package_id": "openmc",
|
|
2049
|
+
"title": "OpenMC Monte Carlo Particle Transport",
|
|
2050
|
+
"description": "OpenMC is a Monte Carlo neutron and photon transport package for reactor physics and radiation modeling using continuous energy nuclear data and constructive solid geometry.",
|
|
2051
|
+
"domains": [
|
|
2052
|
+
"high_energy_physics"
|
|
2053
|
+
],
|
|
2054
|
+
"tags": [
|
|
2055
|
+
"openmc",
|
|
2056
|
+
"monte-carlo",
|
|
2057
|
+
"reactor-physics",
|
|
2058
|
+
"nuclear-transport",
|
|
2059
|
+
"criticality",
|
|
2060
|
+
"radiation"
|
|
2061
|
+
],
|
|
2062
|
+
"knowledge_url": "https://github.com/skilled-scipkg/openmc",
|
|
2063
|
+
"source_archive_url": "https://github.com/skilled-scipkg/openmc/archive/refs/heads/develop.zip",
|
|
2064
|
+
"upstream_repo_url": "https://github.com/openmc-dev/openmc",
|
|
2065
|
+
"homepage_url": "https://docs.openmc.org",
|
|
2066
|
+
"card": "references/packages/openmc.md"
|
|
2067
|
+
},
|
|
2068
|
+
{
|
|
2069
|
+
"package_id": "openmm",
|
|
2070
|
+
"title": "OpenMM Molecular Dynamics Toolkit",
|
|
2071
|
+
"description": "OpenMM is a high-performance molecular dynamics toolkit for biomolecular simulation, offering flexible custom forces and integrators with fast GPU execution through Python and C++ interfaces.",
|
|
2072
|
+
"domains": [
|
|
2073
|
+
"computational_chemistry",
|
|
2074
|
+
"molecular_dynamics"
|
|
2075
|
+
],
|
|
2076
|
+
"tags": [
|
|
2077
|
+
"molecular-dynamics",
|
|
2078
|
+
"molecular-simulation",
|
|
2079
|
+
"computational-chemistry",
|
|
2080
|
+
"biophysics",
|
|
2081
|
+
"gpu-acceleration"
|
|
2082
|
+
],
|
|
2083
|
+
"knowledge_url": "https://github.com/skilled-scipkg/openmm",
|
|
2084
|
+
"source_archive_url": "https://github.com/skilled-scipkg/openmm/archive/refs/heads/master.zip",
|
|
2085
|
+
"upstream_repo_url": "https://github.com/openmm/openmm",
|
|
2086
|
+
"homepage_url": "https://github.com/openmm/openmm",
|
|
2087
|
+
"card": "references/packages/openmm.md"
|
|
2088
|
+
},
|
|
2089
|
+
{
|
|
2090
|
+
"package_id": "openmoc",
|
|
2091
|
+
"title": "OpenMOC Reactor Physics Solver",
|
|
2092
|
+
"description": "OpenMOC is a deterministic method-of-characteristics simulator for neutron transport in nuclear reactors, computing flux, power distribution, and multiplication factors for fixed-source and eigenvalue problems.",
|
|
2093
|
+
"domains": [
|
|
2094
|
+
"computational_science"
|
|
2095
|
+
],
|
|
2096
|
+
"tags": [
|
|
2097
|
+
"openmoc",
|
|
2098
|
+
"nuclear",
|
|
2099
|
+
"reactor-physics",
|
|
2100
|
+
"neutron-transport",
|
|
2101
|
+
"moc",
|
|
2102
|
+
"core-simulation"
|
|
2103
|
+
],
|
|
2104
|
+
"knowledge_url": "https://github.com/skilled-scipkg/OpenMOC",
|
|
2105
|
+
"source_archive_url": "https://github.com/skilled-scipkg/OpenMOC/archive/refs/heads/develop.zip",
|
|
2106
|
+
"upstream_repo_url": "https://github.com/mit-crpg/OpenMOC",
|
|
2107
|
+
"homepage_url": "https://mit-crpg.github.io/OpenMOC/",
|
|
2108
|
+
"card": "references/packages/openmoc.md"
|
|
2109
|
+
},
|
|
2110
|
+
{
|
|
2111
|
+
"package_id": "openmx",
|
|
2112
|
+
"title": "OpenMX Materials DFT Package",
|
|
2113
|
+
"description": "OpenMX is an open-source DFT package for nano-scale material simulations based on norm-conserving pseudopotentials and pseudo-atomic localized basis functions. It is designed for large-scale parallel electronic-structure calculations with MPI or hybrid MPI/OpenMP execution across bulk, surface, interface, liquid, and low-dimensional materials.",
|
|
2114
|
+
"domains": [
|
|
2115
|
+
"quantum_chemistry",
|
|
2116
|
+
"materials_science",
|
|
2117
|
+
"workflow_provenance"
|
|
2118
|
+
],
|
|
2119
|
+
"tags": [
|
|
2120
|
+
"openmx",
|
|
2121
|
+
"dft",
|
|
2122
|
+
"electronic-structure",
|
|
2123
|
+
"materials-science",
|
|
2124
|
+
"pseudopotentials",
|
|
2125
|
+
"hpc"
|
|
2126
|
+
],
|
|
2127
|
+
"knowledge_url": "https://github.com/skilled-scipkg/openmx",
|
|
2128
|
+
"source_archive_url": "https://github.com/skilled-scipkg/openmx/archive/refs/heads/main.zip",
|
|
2129
|
+
"upstream_repo_url": "https://www.openmx-square.org/openmx3.9.tar.gz",
|
|
2130
|
+
"homepage_url": "https://www.openmx-square.org/",
|
|
2131
|
+
"card": "references/packages/openmx.md"
|
|
2132
|
+
},
|
|
2133
|
+
{
|
|
2134
|
+
"package_id": "opensees",
|
|
2135
|
+
"title": "OpenSees Earthquake Engineering Simulator",
|
|
2136
|
+
"description": "OpenSees is a finite element platform for nonlinear structural and geotechnical analysis, widely used to model seismic response, time history behavior, and performance based earthquake engineering systems.",
|
|
2137
|
+
"domains": [
|
|
2138
|
+
"finite_element_engineering"
|
|
2139
|
+
],
|
|
2140
|
+
"tags": [
|
|
2141
|
+
"earthquake-engineering",
|
|
2142
|
+
"structural-mechanics",
|
|
2143
|
+
"finite-element",
|
|
2144
|
+
"seismic-analysis",
|
|
2145
|
+
"civil-engineering"
|
|
2146
|
+
],
|
|
2147
|
+
"knowledge_url": "https://github.com/skilled-scipkg/OpenSees",
|
|
2148
|
+
"source_archive_url": "https://github.com/skilled-scipkg/OpenSees/archive/refs/heads/master.zip",
|
|
2149
|
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"upstream_repo_url": "https://github.com/OpenSees/OpenSees",
|
|
2150
|
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"homepage_url": "https://github.com/OpenSees/OpenSees",
|
|
2151
|
+
"card": "references/packages/opensees.md"
|
|
2152
|
+
},
|
|
2153
|
+
{
|
|
2154
|
+
"package_id": "opensn",
|
|
2155
|
+
"title": "OpenSn Linear Boltzmann Solver",
|
|
2156
|
+
"description": "OpenSn is a massively parallel scientific simulation engine that solves the linear Boltzmann equation using deterministic discrete-ordinates transport methods.",
|
|
2157
|
+
"domains": [
|
|
2158
|
+
"workflow_provenance"
|
|
2159
|
+
],
|
|
2160
|
+
"tags": [
|
|
2161
|
+
"neutron-transport",
|
|
2162
|
+
"radiation-transport",
|
|
2163
|
+
"boltzmann-equation",
|
|
2164
|
+
"discrete-ordinates",
|
|
2165
|
+
"hpc",
|
|
2166
|
+
"scientific-simulation"
|
|
2167
|
+
],
|
|
2168
|
+
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|
|
2169
|
+
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|
|
2170
|
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|
|
2171
|
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"homepage_url": "https://open-sn.github.io/opensn/",
|
|
2172
|
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|
|
2173
|
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},
|
|
2174
|
+
{
|
|
2175
|
+
"package_id": "opm-simulators",
|
|
2176
|
+
"title": "OPM Flow Reservoir Simulator",
|
|
2177
|
+
"description": "Open Porous Media simulators provide fully implicit reservoir modeling for black-oil production, CO2 and hydrogen storage, thermal, solvent, and polymer processes using Eclipse-compatible input decks at industrial scale.",
|
|
2178
|
+
"domains": [
|
|
2179
|
+
"computational_science"
|
|
2180
|
+
],
|
|
2181
|
+
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|
|
2182
|
+
"reservoir-simulation",
|
|
2183
|
+
"porous-media",
|
|
2184
|
+
"black-oil",
|
|
2185
|
+
"co2-storage",
|
|
2186
|
+
"hydrogen-storage",
|
|
2187
|
+
"well-modeling"
|
|
2188
|
+
],
|
|
2189
|
+
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|
|
2190
|
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|
|
2191
|
+
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|
|
2192
|
+
"homepage_url": "http://www.opm-project.org",
|
|
2193
|
+
"card": "references/packages/opm-simulators.md"
|
|
2194
|
+
},
|
|
2195
|
+
{
|
|
2196
|
+
"package_id": "oqupy",
|
|
2197
|
+
"title": "OQuPy",
|
|
2198
|
+
"description": "Open Quantum Systems in Python package focused on non-Markovian process-tensor methods and environment-driven quantum dynamics.",
|
|
2199
|
+
"domains": [
|
|
2200
|
+
"computational_science"
|
|
2201
|
+
],
|
|
2202
|
+
"tags": [
|
|
2203
|
+
"open-quantum-systems",
|
|
2204
|
+
"non-markovian",
|
|
2205
|
+
"process-tensor"
|
|
2206
|
+
],
|
|
2207
|
+
"knowledge_url": "https://github.com/skilled-scipkg/OQuPy",
|
|
2208
|
+
"source_archive_url": "https://github.com/skilled-scipkg/OQuPy/archive/refs/heads/main.zip",
|
|
2209
|
+
"upstream_repo_url": "https://github.com/tempoCollaboration/OQuPy",
|
|
2210
|
+
"homepage_url": "https://oqupy.readthedocs.io",
|
|
2211
|
+
"card": "references/packages/oqupy.md"
|
|
2212
|
+
},
|
|
2213
|
+
{
|
|
2214
|
+
"package_id": "packmol",
|
|
2215
|
+
"title": "Packmol Molecular Configuration Builder",
|
|
2216
|
+
"description": "Packmol generates initial molecular dynamics coordinates by packing molecules into user-defined regions while satisfying minimum-distance constraints to prevent destabilizing atomic overlaps.",
|
|
2217
|
+
"domains": [
|
|
2218
|
+
"computational_chemistry",
|
|
2219
|
+
"molecular_dynamics"
|
|
2220
|
+
],
|
|
2221
|
+
"tags": [
|
|
2222
|
+
"molecular-dynamics",
|
|
2223
|
+
"molecule-packing",
|
|
2224
|
+
"initial-configuration",
|
|
2225
|
+
"computational-chemistry",
|
|
2226
|
+
"structure-preparation"
|
|
2227
|
+
],
|
|
2228
|
+
"knowledge_url": "https://github.com/skilled-scipkg/packmol",
|
|
2229
|
+
"source_archive_url": "https://github.com/skilled-scipkg/packmol/archive/refs/heads/master.zip",
|
|
2230
|
+
"upstream_repo_url": "https://github.com/m3g/packmol",
|
|
2231
|
+
"homepage_url": "http://m3g.github.io/packmol",
|
|
2232
|
+
"card": "references/packages/packmol.md"
|
|
2233
|
+
},
|
|
2234
|
+
{
|
|
2235
|
+
"package_id": "palabos",
|
|
2236
|
+
"title": "Palabos Lattice Boltzmann CFD",
|
|
2237
|
+
"description": "Palabos is an open-source parallel computational fluid dynamics package implementing the lattice Boltzmann method for simulating complex fluid flows and transport phenomena.",
|
|
2238
|
+
"domains": [
|
|
2239
|
+
"computational_fluid_dynamics",
|
|
2240
|
+
"workflow_provenance"
|
|
2241
|
+
],
|
|
2242
|
+
"tags": [
|
|
2243
|
+
"cfd",
|
|
2244
|
+
"lattice-boltzmann",
|
|
2245
|
+
"fluid-dynamics",
|
|
2246
|
+
"hpc",
|
|
2247
|
+
"multiphase-flow"
|
|
2248
|
+
],
|
|
2249
|
+
"knowledge_url": "https://github.com/skilled-scipkg/palabos",
|
|
2250
|
+
"source_archive_url": "https://github.com/skilled-scipkg/palabos/archive/refs/heads/master.zip",
|
|
2251
|
+
"upstream_repo_url": "https://github.com/omalaspinas/palabos",
|
|
2252
|
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"homepage_url": "https://github.com/omalaspinas/palabos",
|
|
2253
|
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"card": "references/packages/palabos.md"
|
|
2254
|
+
},
|
|
2255
|
+
{
|
|
2256
|
+
"package_id": "parflow",
|
|
2257
|
+
"title": "ParFlow Watershed Flow Model",
|
|
2258
|
+
"description": "ParFlow is a massively parallel integrated hydrologic model for coupled surface and subsurface watershed flow, simulating overland runoff, groundwater, and land-surface processes across complex terrain.",
|
|
2259
|
+
"domains": [
|
|
2260
|
+
"workflow_provenance"
|
|
2261
|
+
],
|
|
2262
|
+
"tags": [
|
|
2263
|
+
"hydrology",
|
|
2264
|
+
"watershed",
|
|
2265
|
+
"groundwater",
|
|
2266
|
+
"surface-water",
|
|
2267
|
+
"hpc",
|
|
2268
|
+
"environmental-modeling"
|
|
2269
|
+
],
|
|
2270
|
+
"knowledge_url": "https://github.com/skilled-scipkg/parflow",
|
|
2271
|
+
"source_archive_url": "https://github.com/skilled-scipkg/parflow/archive/refs/heads/master.zip",
|
|
2272
|
+
"upstream_repo_url": "https://github.com/parflow/parflow",
|
|
2273
|
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"homepage_url": "http://parflow.org",
|
|
2274
|
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"card": "references/packages/parflow.md"
|
|
2275
|
+
},
|
|
2276
|
+
{
|
|
2277
|
+
"package_id": "pennylane",
|
|
2278
|
+
"title": "PennyLane",
|
|
2279
|
+
"description": "PennyLane is an open-source Python framework for building and optimizing quantum circuits, hybrid quantum-classical models, and quantum chemistry workflows across simulators and hardware backends.",
|
|
2280
|
+
"domains": [
|
|
2281
|
+
"quantum_chemistry",
|
|
2282
|
+
"workflow_provenance"
|
|
2283
|
+
],
|
|
2284
|
+
"tags": [
|
|
2285
|
+
"quantum-computing",
|
|
2286
|
+
"quantum-machine-learning",
|
|
2287
|
+
"quantum-chemistry",
|
|
2288
|
+
"python",
|
|
2289
|
+
"variational-algorithms"
|
|
2290
|
+
],
|
|
2291
|
+
"knowledge_url": "https://github.com/skilled-scipkg/pennylane",
|
|
2292
|
+
"source_archive_url": "https://github.com/skilled-scipkg/pennylane/archive/refs/heads/master.zip",
|
|
2293
|
+
"upstream_repo_url": "https://github.com/PennyLaneAI/pennylane",
|
|
2294
|
+
"homepage_url": "https://pennylane.ai",
|
|
2295
|
+
"card": "references/packages/pennylane.md"
|
|
2296
|
+
},
|
|
2297
|
+
{
|
|
2298
|
+
"package_id": "perceval",
|
|
2299
|
+
"title": "Perceval Photonic Quantum Toolkit",
|
|
2300
|
+
"description": "Perceval is a Python framework for designing, simulating, and executing discrete-variable photonic quantum circuits with linear optics models and Quandela hardware connectivity.",
|
|
2301
|
+
"domains": [
|
|
2302
|
+
"computational_science"
|
|
2303
|
+
],
|
|
2304
|
+
"tags": [
|
|
2305
|
+
"photonic-quantum",
|
|
2306
|
+
"linear-optics",
|
|
2307
|
+
"fock-states",
|
|
2308
|
+
"quantum-simulation",
|
|
2309
|
+
"quandela"
|
|
2310
|
+
],
|
|
2311
|
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"knowledge_url": "https://github.com/skilled-scipkg/Perceval",
|
|
2312
|
+
"source_archive_url": "https://github.com/skilled-scipkg/Perceval/archive/refs/heads/main.zip",
|
|
2313
|
+
"upstream_repo_url": "https://github.com/Quandela/Perceval",
|
|
2314
|
+
"homepage_url": "https://perceval.quandela.net",
|
|
2315
|
+
"card": "references/packages/perceval.md"
|
|
2316
|
+
},
|
|
2317
|
+
{
|
|
2318
|
+
"package_id": "phono3py",
|
|
2319
|
+
"title": "Phono3py",
|
|
2320
|
+
"description": "phono3py computes anharmonic phonon properties from third-order force constants, enabling lattice thermal conductivity and phonon lifetime simulations for crystalline materials.",
|
|
2321
|
+
"domains": [
|
|
2322
|
+
"materials_science"
|
|
2323
|
+
],
|
|
2324
|
+
"tags": [
|
|
2325
|
+
"phonons",
|
|
2326
|
+
"anharmonicity",
|
|
2327
|
+
"lattice-dynamics",
|
|
2328
|
+
"thermal-conductivity",
|
|
2329
|
+
"materials-simulation"
|
|
2330
|
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],
|
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2331
|
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"knowledge_url": "https://github.com/skilled-scipkg/phono3py",
|
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2332
|
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|
|
2333
|
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"upstream_repo_url": "https://github.com/phonopy/phono3py",
|
|
2334
|
+
"homepage_url": "http://phonopy.github.io/phono3py/",
|
|
2335
|
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"card": "references/packages/phono3py.md"
|
|
2336
|
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|
|
2337
|
+
{
|
|
2338
|
+
"package_id": "phonopy",
|
|
2339
|
+
"title": "Phonopy Phonon Lattice Dynamics",
|
|
2340
|
+
"description": "Phonopy computes crystal phonons and vibrational thermodynamic properties from force constants, supporting dispersion, density of states, and finite-displacement lattice-dynamics workflows.",
|
|
2341
|
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"domains": [
|
|
2342
|
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"materials_science",
|
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2343
|
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"workflow_provenance"
|
|
2344
|
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],
|
|
2345
|
+
"tags": [
|
|
2346
|
+
"phonons",
|
|
2347
|
+
"lattice-dynamics",
|
|
2348
|
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"solid-state",
|
|
2349
|
+
"materials-simulation",
|
|
2350
|
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"computational-physics"
|
|
2351
|
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],
|
|
2352
|
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"knowledge_url": "https://github.com/skilled-scipkg/phonopy",
|
|
2353
|
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|
|
2354
|
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"upstream_repo_url": "https://github.com/phonopy/phonopy",
|
|
2355
|
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"homepage_url": "http://phonopy.github.io/phonopy/",
|
|
2356
|
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"card": "references/packages/phonopy.md"
|
|
2357
|
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},
|
|
2358
|
+
{
|
|
2359
|
+
"package_id": "photutils",
|
|
2360
|
+
"title": "Photutils Astronomical Photometry Toolkit",
|
|
2361
|
+
"description": "Photutils provides robust algorithms for detecting astronomical sources and performing aperture and PSF photometry, with background estimation, segmentation, centroiding, and profile analysis for telescope image data.",
|
|
2362
|
+
"domains": [
|
|
2363
|
+
"astronomy_astrophysics"
|
|
2364
|
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|
|
2365
|
+
"tags": [
|
|
2366
|
+
"astronomy",
|
|
2367
|
+
"astrophotometry",
|
|
2368
|
+
"source-detection",
|
|
2369
|
+
"aperture-photometry",
|
|
2370
|
+
"psf-photometry",
|
|
2371
|
+
"image-segmentation"
|
|
2372
|
+
],
|
|
2373
|
+
"knowledge_url": "https://github.com/skilled-scipkg/photutils",
|
|
2374
|
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"source_archive_url": "https://github.com/skilled-scipkg/photutils/archive/refs/heads/main.zip",
|
|
2375
|
+
"upstream_repo_url": "https://github.com/astropy/photutils",
|
|
2376
|
+
"homepage_url": "https://photutils.readthedocs.io",
|
|
2377
|
+
"card": "references/packages/photutils.md"
|
|
2378
|
+
},
|
|
2379
|
+
{
|
|
2380
|
+
"package_id": "picongpu",
|
|
2381
|
+
"title": "PIConGPU",
|
|
2382
|
+
"description": "PIConGPU performs fully relativistic 3D3V particle-in-cell plasma simulations with self-consistent electromagnetic fields, ionization, radiation diagnostics, and exascale GPU manycore scalability.",
|
|
2383
|
+
"domains": [
|
|
2384
|
+
"electromagnetics",
|
|
2385
|
+
"plasma_particle_simulation",
|
|
2386
|
+
"workflow_provenance"
|
|
2387
|
+
],
|
|
2388
|
+
"tags": [
|
|
2389
|
+
"plasma-physics",
|
|
2390
|
+
"particle-in-cell",
|
|
2391
|
+
"hpc",
|
|
2392
|
+
"gpu",
|
|
2393
|
+
"electromagnetics",
|
|
2394
|
+
"computational-physics"
|
|
2395
|
+
],
|
|
2396
|
+
"knowledge_url": "https://github.com/skilled-scipkg/picongpu",
|
|
2397
|
+
"source_archive_url": "https://github.com/skilled-scipkg/picongpu/archive/refs/heads/dev.zip",
|
|
2398
|
+
"upstream_repo_url": "https://github.com/ComputationalRadiationPhysics/picongpu",
|
|
2399
|
+
"homepage_url": "https://picongpu.readthedocs.io",
|
|
2400
|
+
"card": "references/packages/picongpu.md"
|
|
2401
|
+
},
|
|
2402
|
+
{
|
|
2403
|
+
"package_id": "plink-ng",
|
|
2404
|
+
"title": "PLINK 2 Genome Association Toolkit",
|
|
2405
|
+
"description": "PLINK-NG provides high-performance whole-genome association and population genetics analyses, supporting large cohort genotype, VCF, and dosage datasets for GWAS, quality control, and relatedness workflows.",
|
|
2406
|
+
"domains": [
|
|
2407
|
+
"bioinformatics",
|
|
2408
|
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"workflow_provenance"
|
|
2409
|
+
],
|
|
2410
|
+
"tags": [
|
|
2411
|
+
"genomics",
|
|
2412
|
+
"gwas",
|
|
2413
|
+
"population-genetics",
|
|
2414
|
+
"bioinformatics",
|
|
2415
|
+
"variant-analysis"
|
|
2416
|
+
],
|
|
2417
|
+
"knowledge_url": "https://github.com/skilled-scipkg/plink-ng",
|
|
2418
|
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|
|
2419
|
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"upstream_repo_url": "https://github.com/chrchang/plink-ng",
|
|
2420
|
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"homepage_url": "https://www.cog-genomics.org/plink/2.0/",
|
|
2421
|
+
"card": "references/packages/plink-ng.md"
|
|
2422
|
+
},
|
|
2423
|
+
{
|
|
2424
|
+
"package_id": "precice",
|
|
2425
|
+
"title": "preCICE Coupling Library",
|
|
2426
|
+
"description": "preCICE couples independent simulation solvers for partitioned multi-physics and multi-scale workflows, providing robust communication, data mapping, and acceleration for surface and volume interface exchanges.",
|
|
2427
|
+
"domains": [
|
|
2428
|
+
"workflow_provenance"
|
|
2429
|
+
],
|
|
2430
|
+
"tags": [
|
|
2431
|
+
"multiphysics",
|
|
2432
|
+
"partitioned-coupling",
|
|
2433
|
+
"cosimulation",
|
|
2434
|
+
"fsi",
|
|
2435
|
+
"multiscale",
|
|
2436
|
+
"solver-coupling"
|
|
2437
|
+
],
|
|
2438
|
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"knowledge_url": "https://github.com/skilled-scipkg/precice",
|
|
2439
|
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|
|
2440
|
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|
|
2441
|
+
"homepage_url": "https://precice.org/",
|
|
2442
|
+
"card": "references/packages/precice.md"
|
|
2443
|
+
},
|
|
2444
|
+
{
|
|
2445
|
+
"package_id": "psc",
|
|
2446
|
+
"title": "PSC Particle-in-Cell Plasma Simulator",
|
|
2447
|
+
"description": "PSC is a three-dimensional fully electromagnetic particle-in-cell code for kinetic plasma simulations with MPI scaling, GPU acceleration, and patch-based dynamic load balancing.",
|
|
2448
|
+
"domains": [
|
|
2449
|
+
"electromagnetics",
|
|
2450
|
+
"plasma_particle_simulation",
|
|
2451
|
+
"workflow_provenance"
|
|
2452
|
+
],
|
|
2453
|
+
"tags": [
|
|
2454
|
+
"plasma-physics",
|
|
2455
|
+
"particle-in-cell",
|
|
2456
|
+
"electromagnetics",
|
|
2457
|
+
"kinetic-plasma",
|
|
2458
|
+
"hpc",
|
|
2459
|
+
"gpu"
|
|
2460
|
+
],
|
|
2461
|
+
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|
|
2462
|
+
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|
|
2463
|
+
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|
|
2464
|
+
"homepage_url": "https://psc.readthedocs.io/en/latest/",
|
|
2465
|
+
"card": "references/packages/psc.md"
|
|
2466
|
+
},
|
|
2467
|
+
{
|
|
2468
|
+
"package_id": "psi4",
|
|
2469
|
+
"title": "Psi4 Quantum Chemistry",
|
|
2470
|
+
"description": "Psi4 is an open source ab initio quantum chemistry package for high accuracy molecular electronic structure calculations, with performant C++ kernels and Python driven user workflows.",
|
|
2471
|
+
"domains": [
|
|
2472
|
+
"quantum_chemistry",
|
|
2473
|
+
"computational_chemistry",
|
|
2474
|
+
"workflow_provenance"
|
|
2475
|
+
],
|
|
2476
|
+
"tags": [
|
|
2477
|
+
"quantum-chemistry",
|
|
2478
|
+
"electronic-structure",
|
|
2479
|
+
"ab-initio",
|
|
2480
|
+
"computational-chemistry",
|
|
2481
|
+
"molecular-modeling"
|
|
2482
|
+
],
|
|
2483
|
+
"knowledge_url": "https://github.com/skilled-scipkg/psi4",
|
|
2484
|
+
"source_archive_url": "https://github.com/skilled-scipkg/psi4/archive/refs/heads/master.zip",
|
|
2485
|
+
"upstream_repo_url": "https://github.com/psi4/psi4",
|
|
2486
|
+
"homepage_url": "http://psicode.org",
|
|
2487
|
+
"card": "references/packages/psi4.md"
|
|
2488
|
+
},
|
|
2489
|
+
{
|
|
2490
|
+
"package_id": "pybinding",
|
|
2491
|
+
"title": "Pybinding Tight Binding Toolkit",
|
|
2492
|
+
"description": "pybinding is a scientific Python library for constructing and solving tight-binding models of crystalline materials to study electronic structure and quantum transport in solid-state systems.",
|
|
2493
|
+
"domains": [
|
|
2494
|
+
"quantum_chemistry"
|
|
2495
|
+
],
|
|
2496
|
+
"tags": [
|
|
2497
|
+
"computational-physics",
|
|
2498
|
+
"condensed-matter",
|
|
2499
|
+
"tight-binding",
|
|
2500
|
+
"electronic-structure",
|
|
2501
|
+
"quantum-transport"
|
|
2502
|
+
],
|
|
2503
|
+
"knowledge_url": "https://github.com/skilled-scipkg/pybinding",
|
|
2504
|
+
"source_archive_url": "https://github.com/skilled-scipkg/pybinding/archive/refs/heads/master.zip",
|
|
2505
|
+
"upstream_repo_url": "https://github.com/dean0x7d/pybinding",
|
|
2506
|
+
"homepage_url": "https://pybinding.site",
|
|
2507
|
+
"card": "references/packages/pybinding.md"
|
|
2508
|
+
},
|
|
2509
|
+
{
|
|
2510
|
+
"package_id": "pyfr",
|
|
2511
|
+
"title": "PyFR High-Order CFD Solver",
|
|
2512
|
+
"description": "PyFR is a Python framework for high-order flux-reconstruction simulation of advection-diffusion governing equations on mixed unstructured meshes, optimized for CPUs and GPUs via a templated kernel language.",
|
|
2513
|
+
"domains": [
|
|
2514
|
+
"computational_fluid_dynamics"
|
|
2515
|
+
],
|
|
2516
|
+
"tags": [
|
|
2517
|
+
"cfd",
|
|
2518
|
+
"pde",
|
|
2519
|
+
"flux-reconstruction",
|
|
2520
|
+
"unstructured-mesh",
|
|
2521
|
+
"gpu-computing"
|
|
2522
|
+
],
|
|
2523
|
+
"knowledge_url": "https://github.com/skilled-scipkg/PyFR",
|
|
2524
|
+
"source_archive_url": "https://github.com/skilled-scipkg/PyFR/archive/refs/heads/develop.zip",
|
|
2525
|
+
"upstream_repo_url": "https://github.com/PyFR/PyFR",
|
|
2526
|
+
"homepage_url": "https://github.com/PyFR/PyFR",
|
|
2527
|
+
"card": "references/packages/pyfr.md"
|
|
2528
|
+
},
|
|
2529
|
+
{
|
|
2530
|
+
"package_id": "pyhf",
|
|
2531
|
+
"title": "pyhf HistFactory Inference Toolkit",
|
|
2532
|
+
"description": "pyhf provides pure-Python HistFactory statistical models for high-energy physics, enabling likelihood fitting, CLs hypothesis testing, and interval estimation with tensor backends and autodiff support.",
|
|
2533
|
+
"domains": [
|
|
2534
|
+
"high_energy_physics"
|
|
2535
|
+
],
|
|
2536
|
+
"tags": [
|
|
2537
|
+
"hep",
|
|
2538
|
+
"histfactory",
|
|
2539
|
+
"likelihood",
|
|
2540
|
+
"inference",
|
|
2541
|
+
"cls",
|
|
2542
|
+
"autodiff"
|
|
2543
|
+
],
|
|
2544
|
+
"knowledge_url": "https://github.com/skilled-scipkg/pyhf",
|
|
2545
|
+
"source_archive_url": "https://github.com/skilled-scipkg/pyhf/archive/refs/heads/main.zip",
|
|
2546
|
+
"upstream_repo_url": "https://github.com/scikit-hep/pyhf",
|
|
2547
|
+
"homepage_url": "https://pyhf.readthedocs.io/",
|
|
2548
|
+
"card": "references/packages/pyhf.md"
|
|
2549
|
+
},
|
|
2550
|
+
{
|
|
2551
|
+
"package_id": "pyiron_base",
|
|
2552
|
+
"title": "pyiron Base Workflow Core",
|
|
2553
|
+
"description": "pyiron_base provides core workflow, job orchestration, and HDF5-based data management for large-scale computational materials science studies across local and HPC resources.",
|
|
2554
|
+
"domains": [
|
|
2555
|
+
"materials_science",
|
|
2556
|
+
"workflow_provenance"
|
|
2557
|
+
],
|
|
2558
|
+
"tags": [
|
|
2559
|
+
"computational-materials-science",
|
|
2560
|
+
"workflow-management",
|
|
2561
|
+
"hpc",
|
|
2562
|
+
"job-orchestration",
|
|
2563
|
+
"hdf5",
|
|
2564
|
+
"parameter-studies"
|
|
2565
|
+
],
|
|
2566
|
+
"knowledge_url": "https://github.com/skilled-scipkg/pyiron_base",
|
|
2567
|
+
"source_archive_url": "https://github.com/skilled-scipkg/pyiron_base/archive/refs/heads/main.zip",
|
|
2568
|
+
"upstream_repo_url": "https://github.com/pyiron/pyiron_base",
|
|
2569
|
+
"homepage_url": "https://pyiron-base.readthedocs.io",
|
|
2570
|
+
"card": "references/packages/pyiron_base.md"
|
|
2571
|
+
},
|
|
2572
|
+
{
|
|
2573
|
+
"package_id": "pylcp",
|
|
2574
|
+
"title": "PyLCP Laser Cooling Physics",
|
|
2575
|
+
"description": "pylcp is a Python toolkit for modeling laser-cooling systems by constructing internal Hamiltonians, laser and magnetic-field configurations, and solving optical Bloch equations to compute forces and dynamics.",
|
|
2576
|
+
"domains": [
|
|
2577
|
+
"computational_science"
|
|
2578
|
+
],
|
|
2579
|
+
"tags": [
|
|
2580
|
+
"laser-cooling",
|
|
2581
|
+
"amo-physics",
|
|
2582
|
+
"quantum-optics",
|
|
2583
|
+
"optical-bloch",
|
|
2584
|
+
"atomic-physics"
|
|
2585
|
+
],
|
|
2586
|
+
"knowledge_url": "https://github.com/skilled-scipkg/pylcp",
|
|
2587
|
+
"source_archive_url": "https://github.com/skilled-scipkg/pylcp/archive/refs/heads/master.zip",
|
|
2588
|
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|
|
2589
|
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|
|
2590
|
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|
2591
|
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|
|
2592
|
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{
|
|
2593
|
+
"package_id": "pylith",
|
|
2594
|
+
"title": "PyLith Tectonic Deformation Simulator",
|
|
2595
|
+
"description": "PyLith is a finite-element geodynamics package for quasi-static and dynamic simulation of crustal deformation, including earthquake rupture, fault friction, viscoelastic rheology, and volcano-related tectonic processes.",
|
|
2596
|
+
"domains": [
|
|
2597
|
+
"finite_element_engineering"
|
|
2598
|
+
],
|
|
2599
|
+
"tags": [
|
|
2600
|
+
"geodynamics",
|
|
2601
|
+
"finite-element",
|
|
2602
|
+
"tectonics",
|
|
2603
|
+
"earthquake-modeling",
|
|
2604
|
+
"crustal-deformation",
|
|
2605
|
+
"seismology"
|
|
2606
|
+
],
|
|
2607
|
+
"knowledge_url": "https://github.com/skilled-scipkg/pylith",
|
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2608
|
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"source_archive_url": "https://github.com/skilled-scipkg/pylith/archive/refs/heads/main.zip",
|
|
2609
|
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"upstream_repo_url": "https://github.com/geodynamics/pylith",
|
|
2610
|
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"homepage_url": "https://github.com/geodynamics/pylith",
|
|
2611
|
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"card": "references/packages/pylith.md"
|
|
2612
|
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|
|
2613
|
+
{
|
|
2614
|
+
"package_id": "pynbody",
|
|
2615
|
+
"title": "Pynbody Astrophysical Simulation Analysis",
|
|
2616
|
+
"description": "Python framework for analyzing and visualizing N-body and hydrodynamic astrophysical simulation data, including Gadget, Gasoline, Arepo, N-Chilada, and RAMSES AMR outputs.",
|
|
2617
|
+
"domains": [
|
|
2618
|
+
"astronomy_astrophysics",
|
|
2619
|
+
"computational_fluid_dynamics"
|
|
2620
|
+
],
|
|
2621
|
+
"tags": [
|
|
2622
|
+
"astrophysics",
|
|
2623
|
+
"cosmology",
|
|
2624
|
+
"nbody",
|
|
2625
|
+
"hydrodynamics",
|
|
2626
|
+
"simulation-analysis",
|
|
2627
|
+
"amr"
|
|
2628
|
+
],
|
|
2629
|
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2630
|
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|
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2631
|
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|
|
2632
|
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"homepage_url": "https://pynbody.readthedocs.io",
|
|
2633
|
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"card": "references/packages/pynbody.md"
|
|
2634
|
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},
|
|
2635
|
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{
|
|
2636
|
+
"package_id": "pysam",
|
|
2637
|
+
"title": "Pysam Genomics I/O",
|
|
2638
|
+
"description": "Python bindings to HTSlib for fast reading, writing, indexing, and querying SAM BAM CRAM and VCF BCF genomics files used in sequencing alignment and variant analysis workflows.",
|
|
2639
|
+
"domains": [
|
|
2640
|
+
"bioinformatics",
|
|
2641
|
+
"workflow_provenance"
|
|
2642
|
+
],
|
|
2643
|
+
"tags": [
|
|
2644
|
+
"genomics",
|
|
2645
|
+
"bioinformatics",
|
|
2646
|
+
"sequencing",
|
|
2647
|
+
"htslib",
|
|
2648
|
+
"sam-bam",
|
|
2649
|
+
"vcf-bcf"
|
|
2650
|
+
],
|
|
2651
|
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2652
|
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"source_archive_url": "https://github.com/skilled-scipkg/pysam/archive/refs/heads/master.zip",
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2653
|
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|
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2654
|
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"homepage_url": "https://pysam.readthedocs.io/en/latest/",
|
|
2655
|
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"card": "references/packages/pysam.md"
|
|
2656
|
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},
|
|
2657
|
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{
|
|
2658
|
+
"package_id": "pyscf",
|
|
2659
|
+
"title": "PySCF Quantum Chemistry",
|
|
2660
|
+
"description": "PySCF is a Python-based electronic structure and quantum chemistry package for ab initio molecular and periodic calculations, including Hartree-Fock, post-HF, and multireference workflows.",
|
|
2661
|
+
"domains": [
|
|
2662
|
+
"quantum_chemistry",
|
|
2663
|
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"computational_chemistry",
|
|
2664
|
+
"materials_science",
|
|
2665
|
+
"workflow_provenance"
|
|
2666
|
+
],
|
|
2667
|
+
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|
|
2668
|
+
"quantum-chemistry",
|
|
2669
|
+
"electronic-structure",
|
|
2670
|
+
"ab-initio",
|
|
2671
|
+
"molecular-modeling",
|
|
2672
|
+
"computational-chemistry",
|
|
2673
|
+
"materials-simulation"
|
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2674
|
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],
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2675
|
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|
|
2676
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2677
|
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|
|
2678
|
+
"homepage_url": "https://github.com/pyscf/pyscf",
|
|
2679
|
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"card": "references/packages/pyscf.md"
|
|
2680
|
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},
|
|
2681
|
+
{
|
|
2682
|
+
"package_id": "q-e",
|
|
2683
|
+
"title": "Quantum ESPRESSO",
|
|
2684
|
+
"description": "Quantum ESPRESSO is an open source suite for plane wave density functional theory, phonons, and ab initio molecular dynamics in electronic structure simulations of materials.",
|
|
2685
|
+
"domains": [
|
|
2686
|
+
"quantum_chemistry",
|
|
2687
|
+
"molecular_dynamics",
|
|
2688
|
+
"materials_science"
|
|
2689
|
+
],
|
|
2690
|
+
"tags": [
|
|
2691
|
+
"quantum-espresso",
|
|
2692
|
+
"dft",
|
|
2693
|
+
"dfpt",
|
|
2694
|
+
"electronic-structure",
|
|
2695
|
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"materials-simulation",
|
|
2696
|
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"plane-wave"
|
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2697
|
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],
|
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2698
|
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|
|
2699
|
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|
|
2700
|
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|
|
2701
|
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"homepage_url": "https://github.com/QEF/q-e",
|
|
2702
|
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"card": "references/packages/q-e.md"
|
|
2703
|
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},
|
|
2704
|
+
{
|
|
2705
|
+
"package_id": "qibo",
|
|
2706
|
+
"title": "Qibo Quantum Simulation and Control",
|
|
2707
|
+
"description": "Qibo is an open-source full-stack framework for building, simulating, and executing quantum circuits, with device-agnostic backends for CPU or GPU simulation and quantum hardware control.",
|
|
2708
|
+
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|
|
2709
|
+
"computational_science"
|
|
2710
|
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],
|
|
2711
|
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|
|
2712
|
+
"qibo",
|
|
2713
|
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"quantum-computing",
|
|
2714
|
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|
|
2715
|
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"quantum-simulation",
|
|
2716
|
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"hardware-control",
|
|
2717
|
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|
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2718
|
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],
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2719
|
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|
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2720
|
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2721
|
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|
|
2722
|
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"homepage_url": "https://qibo.science",
|
|
2723
|
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"card": "references/packages/qibo.md"
|
|
2724
|
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},
|
|
2725
|
+
{
|
|
2726
|
+
"package_id": "qiskit",
|
|
2727
|
+
"title": "Qiskit Quantum SDK",
|
|
2728
|
+
"description": "Qiskit is an open source quantum computing SDK for building circuits, transpiling to target backends, and evaluating observables with sampler and estimator primitives.",
|
|
2729
|
+
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|
|
2730
|
+
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|
|
2731
|
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|
|
2732
|
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|
|
2733
|
+
"quantum-computing",
|
|
2734
|
+
"quantum-circuits",
|
|
2735
|
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"transpiler",
|
|
2736
|
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"quantum-information",
|
|
2737
|
+
"primitives",
|
|
2738
|
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"ibm-quantum"
|
|
2739
|
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],
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2740
|
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2741
|
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2742
|
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2743
|
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|
|
2744
|
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|
|
2745
|
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|
|
2746
|
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{
|
|
2747
|
+
"package_id": "quantica-jl",
|
|
2748
|
+
"title": "Quantica.jl Lattice Quantum Systems",
|
|
2749
|
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"description": "Quantica.jl is a Julia package for building lattice tight-binding Hamiltonians and computing band structures, Green functions, and transport observables for quantum condensed-matter systems.",
|
|
2750
|
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"domains": [
|
|
2751
|
+
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|
|
2752
|
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],
|
|
2753
|
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|
|
2754
|
+
"quantum-physics",
|
|
2755
|
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|
|
2756
|
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"tight-binding",
|
|
2757
|
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"condensed-matter",
|
|
2758
|
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"quantum-transport",
|
|
2759
|
+
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|
|
2760
|
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],
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|
2761
|
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|
2762
|
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|
2763
|
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|
2764
|
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|
2765
|
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|
|
2766
|
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|
|
2767
|
+
{
|
|
2768
|
+
"package_id": "quantumoptics-jl",
|
|
2769
|
+
"title": "QuantumOptics.jl Quantum Dynamics Simulator",
|
|
2770
|
+
"description": "Julia package for numerically simulating closed and open quantum systems, with tools for quantum optics models, operator algebra, and dissipative time evolution.",
|
|
2771
|
+
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|
|
2772
|
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|
|
2773
|
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|
|
2774
|
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|
|
2775
|
+
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|
|
2776
|
+
"open-quantum-systems",
|
|
2777
|
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"julia",
|
|
2778
|
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"quantum-simulation",
|
|
2779
|
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"computational-physics"
|
|
2780
|
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],
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|
2781
|
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|
|
2782
|
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|
2783
|
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|
|
2784
|
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|
|
2785
|
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|
|
2786
|
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},
|
|
2787
|
+
{
|
|
2788
|
+
"package_id": "quimb",
|
|
2789
|
+
"title": "Quimb Quantum Tensor Networks",
|
|
2790
|
+
"description": "Quimb is a Python package for quantum information and many-body physics, combining tensor-network algorithms with exact operator methods for entanglement, spectra, and dynamics.",
|
|
2791
|
+
"domains": [
|
|
2792
|
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|
|
2793
|
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],
|
|
2794
|
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|
|
2795
|
+
"quantum",
|
|
2796
|
+
"tensor-networks",
|
|
2797
|
+
"many-body",
|
|
2798
|
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"entanglement",
|
|
2799
|
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"simulation"
|
|
2800
|
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],
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|
2801
|
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2802
|
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2803
|
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|
|
2804
|
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"homepage_url": "http://quimb.readthedocs.io",
|
|
2805
|
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"card": "references/packages/quimb.md"
|
|
2806
|
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2807
|
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{
|
|
2808
|
+
"package_id": "qulacs",
|
|
2809
|
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"title": "Qulacs Quantum Circuit Simulator",
|
|
2810
|
+
"description": "Qulacs is a high performance C++ and Python library for simulating large noisy and parametric gate based quantum circuits with multithreaded CPU and optional CUDA acceleration for variational quantum computing research.",
|
|
2811
|
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"domains": [
|
|
2812
|
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|
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2813
|
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|
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|
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2815
|
+
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2816
|
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|
|
2817
|
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|
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2818
|
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2819
|
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2820
|
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],
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2821
|
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2822
|
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2823
|
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2824
|
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"homepage_url": "https://github.com/qulacs/qulacs",
|
|
2825
|
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"card": "references/packages/qulacs.md"
|
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2826
|
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},
|
|
2827
|
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{
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|
2828
|
+
"package_id": "qutip",
|
|
2829
|
+
"title": "QuTiP Quantum Toolbox",
|
|
2830
|
+
"description": "QuTiP is a Python framework for simulating closed and open quantum system dynamics with Hamiltonians, collapse operators, and time-dependent master-equation solvers used in quantum optics and information research.",
|
|
2831
|
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"domains": [
|
|
2832
|
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|
|
2833
|
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],
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|
2834
|
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|
|
2835
|
+
"quantum-physics",
|
|
2836
|
+
"open-quantum-systems",
|
|
2837
|
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"quantum-optics",
|
|
2838
|
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"master-equation",
|
|
2839
|
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"numerical-simulation"
|
|
2840
|
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],
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2841
|
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|
2842
|
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2843
|
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2844
|
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"homepage_url": "https://qutip.org",
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|
2845
|
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|
|
2846
|
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|
2847
|
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{
|
|
2848
|
+
"package_id": "rdkit",
|
|
2849
|
+
"title": "RDKit Cheminformatics Toolkit",
|
|
2850
|
+
"description": "RDKit is an open-source cheminformatics library for molecular representation, property calculation, fingerprinting, and substructure or similarity search across 2D and 3D chemical workflows.",
|
|
2851
|
+
"domains": [
|
|
2852
|
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"computational_chemistry",
|
|
2853
|
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"bioinformatics",
|
|
2854
|
+
"workflow_provenance"
|
|
2855
|
+
],
|
|
2856
|
+
"tags": [
|
|
2857
|
+
"cheminformatics",
|
|
2858
|
+
"computational-chemistry",
|
|
2859
|
+
"molecular-fingerprints",
|
|
2860
|
+
"substructure-search",
|
|
2861
|
+
"drug-discovery"
|
|
2862
|
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],
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|
2863
|
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"knowledge_url": "https://github.com/skilled-scipkg/rdkit",
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|
2864
|
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|
2865
|
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|
2866
|
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"homepage_url": "https://github.com/rdkit/rdkit",
|
|
2867
|
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"card": "references/packages/rdkit.md"
|
|
2868
|
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|
|
2869
|
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{
|
|
2870
|
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|
|
2871
|
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"title": "RMG-Py Reaction Mechanism Generator",
|
|
2872
|
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|
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2873
|
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|
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2874
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|
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2875
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2876
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|
|
2877
|
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|
|
2878
|
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|
|
2879
|
+
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|
|
2880
|
+
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|
|
2881
|
+
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|
|
2882
|
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|
|
2883
|
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|
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2884
|
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2885
|
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|
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2886
|
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|
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2887
|
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|
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2888
|
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2889
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|
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2890
|
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|
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2891
|
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|
|
2892
|
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"title": "CERN ROOT Data Analysis Framework",
|
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2893
|
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2894
|
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|
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2895
|
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|
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2896
|
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|
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2897
|
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|
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2898
|
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|
|
2899
|
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|
|
2900
|
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|
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2901
|
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|
|
2902
|
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|
|
2903
|
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|
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2904
|
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|
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2905
|
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|
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2906
|
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2907
|
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2908
|
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2909
|
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2910
|
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2911
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|
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2912
|
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2913
|
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|
|
2914
|
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|
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2915
|
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|
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2916
|
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|
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2917
|
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|
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2918
|
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2919
|
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|
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2920
|
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|
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2921
|
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|
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2922
|
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|
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2923
|
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|
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2924
|
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2925
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|
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2926
|
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2927
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2928
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2929
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2930
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2931
|
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|
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2932
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2933
|
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{
|
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2934
|
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|
|
2935
|
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"title": "scikit-allel Population Genetics",
|
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2936
|
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|
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2937
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2938
|
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2939
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|
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2940
|
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|
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2941
|
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|
|
2942
|
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|
|
2943
|
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|
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2944
|
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|
|
2945
|
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|
|
2946
|
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|
|
2947
|
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|
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2948
|
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2949
|
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2950
|
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2951
|
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2952
|
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|
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2953
|
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|
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2954
|
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{
|
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2955
|
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|
|
2956
|
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"title": "scikit-bio Bioinformatics Library",
|
|
2957
|
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|
|
2958
|
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|
|
2959
|
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|
|
2960
|
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|
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2961
|
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|
|
2962
|
+
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|
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2963
|
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|
|
2964
|
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|
|
2965
|
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|
|
2966
|
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|
|
2967
|
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|
|
2968
|
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2969
|
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2970
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2971
|
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2972
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|
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2973
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|
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2974
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2975
|
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{
|
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2976
|
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|
|
2977
|
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"title": "scqubits superconducting qubit simulator",
|
|
2978
|
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2979
|
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|
|
2980
|
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|
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2981
|
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|
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2982
|
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|
|
2983
|
+
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|
|
2984
|
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|
|
2985
|
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|
|
2986
|
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|
|
2987
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|
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2988
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2989
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2990
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2991
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2992
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2993
|
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2994
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2995
|
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{
|
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2996
|
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|
|
2997
|
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"title": "SCUFF-EM Electromagnetic BEM Suite",
|
|
2998
|
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|
|
2999
|
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3000
|
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|
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3001
|
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3002
|
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3003
|
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3004
|
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3005
|
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|
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|
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3007
|
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|
|
3008
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|
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3009
|
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3010
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{
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3017
|
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|
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3018
|
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3023
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3024
|
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|
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3037
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3038
|
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3039
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3040
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3041
|
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|
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|
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|
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3058
|
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3059
|
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|
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|
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|
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3077
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{
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3078
|
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|
|
3079
|
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|
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3080
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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{
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|
|
3102
|
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"title": "Smilei Plasma PIC Simulator",
|
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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{
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|
|
3124
|
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"title": "Snakemake Workflow Manager",
|
|
3125
|
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|
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|
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|
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|
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3131
|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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3141
|
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{
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|
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|
3146
|
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"title": "SPECFEM3D Globe",
|
|
3147
|
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|
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|
|
3152
|
+
"seismology",
|
|
3153
|
+
"geodynamics",
|
|
3154
|
+
"wave-propagation",
|
|
3155
|
+
"spectral-element",
|
|
3156
|
+
"earth-science",
|
|
3157
|
+
"hpc"
|
|
3158
|
+
],
|
|
3159
|
+
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|
|
3160
|
+
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|
|
3161
|
+
"upstream_repo_url": "https://github.com/SPECFEM/specfem3d_globe",
|
|
3162
|
+
"homepage_url": "https://specfem.org",
|
|
3163
|
+
"card": "references/packages/specfem3d-globe.md"
|
|
3164
|
+
},
|
|
3165
|
+
{
|
|
3166
|
+
"package_id": "specutils",
|
|
3167
|
+
"title": "Specutils Astronomical Spectroscopy",
|
|
3168
|
+
"description": "Specutils provides shared data models and analysis utilities for astronomical spectra, supporting spectral extraction, line measurements, continuum handling, and interoperable spectroscopy workflows in Python astronomy.",
|
|
3169
|
+
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|
|
3170
|
+
"astronomy_astrophysics",
|
|
3171
|
+
"workflow_provenance"
|
|
3172
|
+
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|
|
3173
|
+
"tags": [
|
|
3174
|
+
"astronomy",
|
|
3175
|
+
"spectroscopy",
|
|
3176
|
+
"astrophysics",
|
|
3177
|
+
"spectral-analysis",
|
|
3178
|
+
"python"
|
|
3179
|
+
],
|
|
3180
|
+
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|
|
3181
|
+
"source_archive_url": "https://github.com/skilled-scipkg/specutils/archive/refs/heads/main.zip",
|
|
3182
|
+
"upstream_repo_url": "https://github.com/astropy/specutils",
|
|
3183
|
+
"homepage_url": "http://specutils.readthedocs.io/en/latest/",
|
|
3184
|
+
"card": "references/packages/specutils.md"
|
|
3185
|
+
},
|
|
3186
|
+
{
|
|
3187
|
+
"package_id": "spglib",
|
|
3188
|
+
"title": "Spglib Crystal Symmetry Toolkit",
|
|
3189
|
+
"description": "Spglib provides robust crystal symmetry analysis to determine space groups, symmetry operations, and standardized cells from atomic coordinates, supporting crystallography, materials modeling, and solid-state simulation workflows.",
|
|
3190
|
+
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|
|
3191
|
+
"materials_science",
|
|
3192
|
+
"workflow_provenance"
|
|
3193
|
+
],
|
|
3194
|
+
"tags": [
|
|
3195
|
+
"crystallography",
|
|
3196
|
+
"materials-science",
|
|
3197
|
+
"crystal-symmetry",
|
|
3198
|
+
"space-groups",
|
|
3199
|
+
"solid-state",
|
|
3200
|
+
"atomistic",
|
|
3201
|
+
"structure-analysis"
|
|
3202
|
+
],
|
|
3203
|
+
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|
|
3204
|
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|
|
3205
|
+
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|
|
3206
|
+
"homepage_url": "https://spglib.readthedocs.io/en/latest/",
|
|
3207
|
+
"card": "references/packages/spglib.md"
|
|
3208
|
+
},
|
|
3209
|
+
{
|
|
3210
|
+
"package_id": "squidpy",
|
|
3211
|
+
"title": "Squidpy Spatial Omics Analysis",
|
|
3212
|
+
"description": "Squidpy is a Python toolkit for scalable spatial single-cell and spatial omics analysis, combining tissue image feature extraction, spatial statistics, neighborhood graphs, and interactive exploration.",
|
|
3213
|
+
"domains": [
|
|
3214
|
+
"bioinformatics",
|
|
3215
|
+
"finite_element_engineering"
|
|
3216
|
+
],
|
|
3217
|
+
"tags": [
|
|
3218
|
+
"spatial-omics",
|
|
3219
|
+
"single-cell",
|
|
3220
|
+
"bioinformatics",
|
|
3221
|
+
"spatial-transcriptomics",
|
|
3222
|
+
"tissue-imaging",
|
|
3223
|
+
"scverse"
|
|
3224
|
+
],
|
|
3225
|
+
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|
|
3226
|
+
"source_archive_url": "https://github.com/skilled-scipkg/squidpy/archive/refs/heads/main.zip",
|
|
3227
|
+
"upstream_repo_url": "https://github.com/scverse/squidpy",
|
|
3228
|
+
"homepage_url": "https://squidpy.readthedocs.io/en/stable/",
|
|
3229
|
+
"card": "references/packages/squidpy.md"
|
|
3230
|
+
},
|
|
3231
|
+
{
|
|
3232
|
+
"package_id": "starry",
|
|
3233
|
+
"title": "starry stellar and exoplanet mapper",
|
|
3234
|
+
"description": "starry provides fast analytic models of stellar and exoplanet surface maps to generate and fit transit, eclipse, and phase light curves.",
|
|
3235
|
+
"domains": [
|
|
3236
|
+
"astronomy_astrophysics"
|
|
3237
|
+
],
|
|
3238
|
+
"tags": [
|
|
3239
|
+
"astronomy",
|
|
3240
|
+
"exoplanets",
|
|
3241
|
+
"stellar",
|
|
3242
|
+
"lightcurve",
|
|
3243
|
+
"mapping",
|
|
3244
|
+
"sphericalharmonics"
|
|
3245
|
+
],
|
|
3246
|
+
"knowledge_url": "https://github.com/skilled-scipkg/starry",
|
|
3247
|
+
"source_archive_url": "https://github.com/skilled-scipkg/starry/archive/refs/heads/master.zip",
|
|
3248
|
+
"upstream_repo_url": "https://github.com/rodluger/starry",
|
|
3249
|
+
"homepage_url": "https://starry.readthedocs.io",
|
|
3250
|
+
"card": "references/packages/starry.md"
|
|
3251
|
+
},
|
|
3252
|
+
{
|
|
3253
|
+
"package_id": "strawberryfields",
|
|
3254
|
+
"title": "Strawberry Fields Continuous-Variable Quantum Toolkit",
|
|
3255
|
+
"description": "Strawberry Fields is a Python platform for designing, simulating, and optimizing continuous-variable photonic quantum circuits, including near-term algorithms and execution pathways for quantum optical hardware.",
|
|
3256
|
+
"domains": [
|
|
3257
|
+
"electromagnetics"
|
|
3258
|
+
],
|
|
3259
|
+
"tags": [
|
|
3260
|
+
"quantum-computing",
|
|
3261
|
+
"photonics",
|
|
3262
|
+
"continuous-variable",
|
|
3263
|
+
"quantum-optics",
|
|
3264
|
+
"circuit-simulation",
|
|
3265
|
+
"bosonic-systems"
|
|
3266
|
+
],
|
|
3267
|
+
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|
|
3268
|
+
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|
|
3269
|
+
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|
|
3270
|
+
"homepage_url": "https://xanadu.ai",
|
|
3271
|
+
"card": "references/packages/strawberryfields.md"
|
|
3272
|
+
},
|
|
3273
|
+
{
|
|
3274
|
+
"package_id": "su2",
|
|
3275
|
+
"title": "SU2 Open-Source CFD Suite",
|
|
3276
|
+
"description": "SU2 is an open-source C++ suite for computational fluid dynamics, multiphysics PDE simulation, and adjoint-driven aerodynamic shape optimization for engineering analysis and design.",
|
|
3277
|
+
"domains": [
|
|
3278
|
+
"computational_fluid_dynamics"
|
|
3279
|
+
],
|
|
3280
|
+
"tags": [
|
|
3281
|
+
"cfd",
|
|
3282
|
+
"aerodynamics",
|
|
3283
|
+
"multiphysics",
|
|
3284
|
+
"pde",
|
|
3285
|
+
"optimization",
|
|
3286
|
+
"simulation"
|
|
3287
|
+
],
|
|
3288
|
+
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|
|
3289
|
+
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|
|
3290
|
+
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|
|
3291
|
+
"homepage_url": "https://su2code.github.io",
|
|
3292
|
+
"card": "references/packages/su2.md"
|
|
3293
|
+
},
|
|
3294
|
+
{
|
|
3295
|
+
"package_id": "sunny-jl",
|
|
3296
|
+
"title": "Sunny.jl Magnetic Materials Modeling",
|
|
3297
|
+
"description": "Sunny.jl models magnetic materials with symmetry-aware Hamiltonians, quantum spin excitations, finite-temperature spin dynamics, and fitting to neutron or X-ray scattering data.",
|
|
3298
|
+
"domains": [
|
|
3299
|
+
"computational_science"
|
|
3300
|
+
],
|
|
3301
|
+
"tags": [
|
|
3302
|
+
"magnetism",
|
|
3303
|
+
"spin-waves",
|
|
3304
|
+
"spin-dynamics",
|
|
3305
|
+
"quantum-materials",
|
|
3306
|
+
"scattering"
|
|
3307
|
+
],
|
|
3308
|
+
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|
|
3309
|
+
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|
|
3310
|
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|
|
3311
|
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|
|
3312
|
+
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|
|
3313
|
+
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|
|
3314
|
+
{
|
|
3315
|
+
"package_id": "sw4",
|
|
3316
|
+
"title": "SW4 Seismic Waves Solver",
|
|
3317
|
+
"description": "SW4 is a high-order solver for 3D seismic wave propagation with free-surface and absorbing boundaries, supporting point-force and moment-tensor earthquake source modeling.",
|
|
3318
|
+
"domains": [
|
|
3319
|
+
"computational_science"
|
|
3320
|
+
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|
|
3321
|
+
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|
|
3322
|
+
"sw4",
|
|
3323
|
+
"seismology",
|
|
3324
|
+
"geophysics",
|
|
3325
|
+
"seismic-modeling",
|
|
3326
|
+
"elastic-waves",
|
|
3327
|
+
"finite-difference",
|
|
3328
|
+
"earthquake-simulation"
|
|
3329
|
+
],
|
|
3330
|
+
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|
|
3331
|
+
"source_archive_url": "https://github.com/skilled-scipkg/sw4/archive/refs/heads/master.zip",
|
|
3332
|
+
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|
|
3333
|
+
"homepage_url": "https://github.com/geodynamics/sw4",
|
|
3334
|
+
"card": "references/packages/sw4.md"
|
|
3335
|
+
},
|
|
3336
|
+
{
|
|
3337
|
+
"package_id": "swift",
|
|
3338
|
+
"title": "SWIFT Astrophysical Simulation Engine",
|
|
3339
|
+
"description": "SWIFT is a high-performance astrophysics engine for cosmological particle simulations, combining gravity and smoothed particle hydrodynamics with fine-grained tasking across large HPC systems.",
|
|
3340
|
+
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|
|
3341
|
+
"astronomy_astrophysics",
|
|
3342
|
+
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|
|
3343
|
+
"workflow_provenance",
|
|
3344
|
+
"robotics_physics"
|
|
3345
|
+
],
|
|
3346
|
+
"tags": [
|
|
3347
|
+
"astrophysics",
|
|
3348
|
+
"cosmology",
|
|
3349
|
+
"hydrodynamics",
|
|
3350
|
+
"sph",
|
|
3351
|
+
"gravity",
|
|
3352
|
+
"hpc"
|
|
3353
|
+
],
|
|
3354
|
+
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|
|
3355
|
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|
|
3356
|
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|
|
3357
|
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|
|
3358
|
+
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|
|
3359
|
+
},
|
|
3360
|
+
{
|
|
3361
|
+
"package_id": "tdnegf",
|
|
3362
|
+
"title": "TDNEGF Hybrid Quantum Transport",
|
|
3363
|
+
"description": "TDNEGF-Hybrid provides one-time TDNEGF ODE simulation of open quantum devices, evolving reduced density matrices and auxiliary states to compute time-resolved charge and spin transport observables.",
|
|
3364
|
+
"domains": [
|
|
3365
|
+
"computational_science"
|
|
3366
|
+
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|
|
3367
|
+
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|
|
3368
|
+
"tdnegf",
|
|
3369
|
+
"quantum-transport",
|
|
3370
|
+
"nonequilibrium-greens-function",
|
|
3371
|
+
"spintronics",
|
|
3372
|
+
"open-quantum-systems"
|
|
3373
|
+
],
|
|
3374
|
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"knowledge_url": "https://github.com/skilled-scipkg/TDNEGF",
|
|
3375
|
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|
|
3376
|
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|
|
3377
|
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|
|
3378
|
+
"card": "references/packages/tdnegf.md"
|
|
3379
|
+
},
|
|
3380
|
+
{
|
|
3381
|
+
"package_id": "tenpy",
|
|
3382
|
+
"title": "TeNPy Tensor Network Python",
|
|
3383
|
+
"description": "TeNPy is a tensor-network simulation library for strongly correlated quantum many-body systems, with readable yet extensible implementations of DMRG, TEBD, and related matrix-product-state algorithms for physics research.",
|
|
3384
|
+
"domains": [
|
|
3385
|
+
"computational_science"
|
|
3386
|
+
],
|
|
3387
|
+
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|
|
3388
|
+
"tensor-networks",
|
|
3389
|
+
"quantum-many-body",
|
|
3390
|
+
"dmrg",
|
|
3391
|
+
"tebd",
|
|
3392
|
+
"matrix-product-states",
|
|
3393
|
+
"computational-physics"
|
|
3394
|
+
],
|
|
3395
|
+
"knowledge_url": "https://github.com/skilled-scipkg/tenpy",
|
|
3396
|
+
"source_archive_url": "https://github.com/skilled-scipkg/tenpy/archive/refs/heads/main.zip",
|
|
3397
|
+
"upstream_repo_url": "https://github.com/tenpy/tenpy",
|
|
3398
|
+
"homepage_url": "https://github.com/tenpy/tenpy",
|
|
3399
|
+
"card": "references/packages/tenpy.md"
|
|
3400
|
+
},
|
|
3401
|
+
{
|
|
3402
|
+
"package_id": "thermo",
|
|
3403
|
+
"title": "Thermo Chemical Engineering Thermodynamics",
|
|
3404
|
+
"description": "Python package for chemical engineering thermodynamics and phase equilibrium, providing pure component and mixture property models, transport correlations, and rigorous flash calculation workflows.",
|
|
3405
|
+
"domains": [
|
|
3406
|
+
"workflow_provenance"
|
|
3407
|
+
],
|
|
3408
|
+
"tags": [
|
|
3409
|
+
"thermodynamics",
|
|
3410
|
+
"chemicalengineering",
|
|
3411
|
+
"phaseequilibrium",
|
|
3412
|
+
"vle",
|
|
3413
|
+
"flashcalculation",
|
|
3414
|
+
"mixtureproperties"
|
|
3415
|
+
],
|
|
3416
|
+
"knowledge_url": "https://github.com/skilled-scipkg/thermo",
|
|
3417
|
+
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|
|
3418
|
+
"upstream_repo_url": "https://github.com/CalebBell/thermo",
|
|
3419
|
+
"homepage_url": "https://github.com/CalebBell/thermo",
|
|
3420
|
+
"card": "references/packages/thermo.md"
|
|
3421
|
+
},
|
|
3422
|
+
{
|
|
3423
|
+
"package_id": "tkwant",
|
|
3424
|
+
"title": "Tkwant Time-Dependent Quantum Transport",
|
|
3425
|
+
"description": "Tkwant is a Python package for simulating time-dependent quantum dynamics of mesoscopic systems and serves as the time-dependent extension of Kwant for open quantum transport problems.",
|
|
3426
|
+
"domains": [
|
|
3427
|
+
"quantum_chemistry",
|
|
3428
|
+
"plasma_particle_simulation"
|
|
3429
|
+
],
|
|
3430
|
+
"tags": [
|
|
3431
|
+
"time-dependent-quantum-transport",
|
|
3432
|
+
"non-equilibrium",
|
|
3433
|
+
"tight-binding",
|
|
3434
|
+
"mesoscopic-physics",
|
|
3435
|
+
"nanoelectronics",
|
|
3436
|
+
"keldysh-formalism"
|
|
3437
|
+
],
|
|
3438
|
+
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|
|
3439
|
+
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|
|
3440
|
+
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|
|
3441
|
+
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|
|
3442
|
+
"card": "references/packages/tkwant.md"
|
|
3443
|
+
},
|
|
3444
|
+
{
|
|
3445
|
+
"package_id": "tvb-root",
|
|
3446
|
+
"title": "The Virtual Brain Core",
|
|
3447
|
+
"description": "The Virtual Brain main codebase provides neuroscience tools for whole-brain network simulation, multimodal data analysis, and framework components for workflows, storage, and visualization.",
|
|
3448
|
+
"domains": [
|
|
3449
|
+
"bioinformatics",
|
|
3450
|
+
"computational_neuroscience",
|
|
3451
|
+
"workflow_provenance"
|
|
3452
|
+
],
|
|
3453
|
+
"tags": [
|
|
3454
|
+
"neuroscience",
|
|
3455
|
+
"brain-simulation",
|
|
3456
|
+
"connectomics",
|
|
3457
|
+
"neuroinformatics",
|
|
3458
|
+
"computational-neuroscience"
|
|
3459
|
+
],
|
|
3460
|
+
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|
|
3461
|
+
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|
|
3462
|
+
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|
|
3463
|
+
"homepage_url": "https://thevirtualbrain.org",
|
|
3464
|
+
"card": "references/packages/tvb-root.md"
|
|
3465
|
+
},
|
|
3466
|
+
{
|
|
3467
|
+
"package_id": "uproot5",
|
|
3468
|
+
"title": "Uproot5 ROOT I/O",
|
|
3469
|
+
"description": "Uproot5 is a pure Python library for reading and writing CERN ROOT files, especially TTrees, and streaming high-energy physics event data into array and dataframe workflows without C++ ROOT.",
|
|
3470
|
+
"domains": [
|
|
3471
|
+
"high_energy_physics",
|
|
3472
|
+
"workflow_provenance"
|
|
3473
|
+
],
|
|
3474
|
+
"tags": [
|
|
3475
|
+
"hep",
|
|
3476
|
+
"root",
|
|
3477
|
+
"ttree",
|
|
3478
|
+
"columnar",
|
|
3479
|
+
"particle-physics"
|
|
3480
|
+
],
|
|
3481
|
+
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|
|
3482
|
+
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|
|
3483
|
+
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|
|
3484
|
+
"homepage_url": "https://uproot.readthedocs.io",
|
|
3485
|
+
"card": "references/packages/uproot5.md"
|
|
3486
|
+
},
|
|
3487
|
+
{
|
|
3488
|
+
"package_id": "vampire",
|
|
3489
|
+
"title": "VAMPIRE Atomistic Spin Dynamics Simulator",
|
|
3490
|
+
"description": "VAMPIRE is an atomistic spin dynamics code for simulating magnetic materials, enabling finite-temperature magnetism, hysteresis, ultrafast dynamics, and spin-transport studies at atomic resolution.",
|
|
3491
|
+
"domains": [
|
|
3492
|
+
"molecular_dynamics",
|
|
3493
|
+
"materials_science"
|
|
3494
|
+
],
|
|
3495
|
+
"tags": [
|
|
3496
|
+
"magnetism",
|
|
3497
|
+
"spin-dynamics",
|
|
3498
|
+
"atomistic-simulation",
|
|
3499
|
+
"materials-science",
|
|
3500
|
+
"computational-physics"
|
|
3501
|
+
],
|
|
3502
|
+
"knowledge_url": "https://github.com/skilled-scipkg/vampire",
|
|
3503
|
+
"source_archive_url": "https://github.com/skilled-scipkg/vampire/archive/refs/heads/main.zip",
|
|
3504
|
+
"upstream_repo_url": "https://github.com/richard-evans/vampire",
|
|
3505
|
+
"homepage_url": "https://github.com/richard-evans/vampire",
|
|
3506
|
+
"card": "references/packages/vampire.md"
|
|
3507
|
+
},
|
|
3508
|
+
{
|
|
3509
|
+
"package_id": "wannier_tools",
|
|
3510
|
+
"title": "WannierTools Topological Materials Toolkit",
|
|
3511
|
+
"description": "WannierTools analyzes Wannier tight binding Hamiltonians to compute topological invariants, surface spectra, Weyl and Dirac features, Berry properties, and transport observables in quantum materials.",
|
|
3512
|
+
"domains": [
|
|
3513
|
+
"quantum_chemistry",
|
|
3514
|
+
"finite_element_engineering"
|
|
3515
|
+
],
|
|
3516
|
+
"tags": [
|
|
3517
|
+
"topological-materials",
|
|
3518
|
+
"tight-binding",
|
|
3519
|
+
"electronic-structure",
|
|
3520
|
+
"wannier",
|
|
3521
|
+
"condensed-matter",
|
|
3522
|
+
"surface-states"
|
|
3523
|
+
],
|
|
3524
|
+
"knowledge_url": "https://github.com/skilled-scipkg/wannier_tools",
|
|
3525
|
+
"source_archive_url": "https://github.com/skilled-scipkg/wannier_tools/archive/refs/heads/master.zip",
|
|
3526
|
+
"upstream_repo_url": "https://github.com/quanshengwu/wannier_tools",
|
|
3527
|
+
"homepage_url": "http://www.wanniertools.org",
|
|
3528
|
+
"card": "references/packages/wannier_tools.md"
|
|
3529
|
+
},
|
|
3530
|
+
{
|
|
3531
|
+
"package_id": "warpx",
|
|
3532
|
+
"title": "WarpX PIC Plasma Simulator",
|
|
3533
|
+
"description": "WarpX is a high-performance electromagnetic and electrostatic particle-in-cell simulator for plasma and accelerator modeling, with mesh refinement, boosted-frame techniques, and scalable CPU and GPU execution on supercomputers.",
|
|
3534
|
+
"domains": [
|
|
3535
|
+
"electromagnetics",
|
|
3536
|
+
"plasma_particle_simulation",
|
|
3537
|
+
"workflow_provenance"
|
|
3538
|
+
],
|
|
3539
|
+
"tags": [
|
|
3540
|
+
"plasma-physics",
|
|
3541
|
+
"particle-in-cell",
|
|
3542
|
+
"accelerator-physics",
|
|
3543
|
+
"electromagnetics",
|
|
3544
|
+
"electrostatics",
|
|
3545
|
+
"hpc-simulation"
|
|
3546
|
+
],
|
|
3547
|
+
"knowledge_url": "https://github.com/skilled-scipkg/warpx",
|
|
3548
|
+
"source_archive_url": "https://github.com/skilled-scipkg/warpx/archive/refs/heads/development.zip",
|
|
3549
|
+
"upstream_repo_url": "https://github.com/BLAST-WarpX/warpx",
|
|
3550
|
+
"homepage_url": "https://blast-warpx.github.io",
|
|
3551
|
+
"card": "references/packages/warpx.md"
|
|
3552
|
+
},
|
|
3553
|
+
{
|
|
3554
|
+
"package_id": "wrf",
|
|
3555
|
+
"title": "WRF Weather Forecasting Model",
|
|
3556
|
+
"description": "WRF is an open source mesoscale numerical weather prediction system for atmospheric research and operational forecasting, including regional climate downscaling, severe weather studies, and nested domain simulations.",
|
|
3557
|
+
"domains": [
|
|
3558
|
+
"computational_science"
|
|
3559
|
+
],
|
|
3560
|
+
"tags": [
|
|
3561
|
+
"wrf",
|
|
3562
|
+
"atmospheric-modeling",
|
|
3563
|
+
"numerical-weather-prediction",
|
|
3564
|
+
"mesoscale",
|
|
3565
|
+
"regional-climate",
|
|
3566
|
+
"weather-forecasting"
|
|
3567
|
+
],
|
|
3568
|
+
"knowledge_url": "https://github.com/skilled-scipkg/WRF",
|
|
3569
|
+
"source_archive_url": "https://github.com/skilled-scipkg/WRF/archive/refs/heads/master.zip",
|
|
3570
|
+
"upstream_repo_url": "https://github.com/wrf-model/WRF",
|
|
3571
|
+
"homepage_url": "https://github.com/wrf-model/WRF",
|
|
3572
|
+
"card": "references/packages/wrf.md"
|
|
3573
|
+
},
|
|
3574
|
+
{
|
|
3575
|
+
"package_id": "xtb",
|
|
3576
|
+
"title": "xTB Extended Tight-Binding Quantum Chemistry",
|
|
3577
|
+
"description": "xTB is a semiempirical extended tight-binding quantum chemistry package for fast molecular energies, structures, frequencies, and conformational analyses across large systems with broad element coverage.",
|
|
3578
|
+
"domains": [
|
|
3579
|
+
"quantum_chemistry",
|
|
3580
|
+
"computational_chemistry"
|
|
3581
|
+
],
|
|
3582
|
+
"tags": [
|
|
3583
|
+
"quantum-chemistry",
|
|
3584
|
+
"semiempirical",
|
|
3585
|
+
"tight-binding",
|
|
3586
|
+
"molecular-modeling",
|
|
3587
|
+
"computational-chemistry"
|
|
3588
|
+
],
|
|
3589
|
+
"knowledge_url": "https://github.com/skilled-scipkg/xtb",
|
|
3590
|
+
"source_archive_url": "https://github.com/skilled-scipkg/xtb/archive/refs/heads/main.zip",
|
|
3591
|
+
"upstream_repo_url": "https://github.com/grimme-lab/xtb",
|
|
3592
|
+
"homepage_url": "https://xtb-docs.readthedocs.io/",
|
|
3593
|
+
"card": "references/packages/xtb.md"
|
|
3594
|
+
},
|
|
3595
|
+
{
|
|
3596
|
+
"package_id": "yt",
|
|
3597
|
+
"title": "yt Volumetric Simulation Analysis",
|
|
3598
|
+
"description": "yt is a Python library for physically meaningful analysis and visualization of volumetric simulation data across structured and unstructured meshes, particles, and adaptive mesh refinement datasets.",
|
|
3599
|
+
"domains": [
|
|
3600
|
+
"computational_science"
|
|
3601
|
+
],
|
|
3602
|
+
"tags": [
|
|
3603
|
+
"scientific-visualization",
|
|
3604
|
+
"simulation-analysis",
|
|
3605
|
+
"volumetric-data",
|
|
3606
|
+
"amr",
|
|
3607
|
+
"computational-physics"
|
|
3608
|
+
],
|
|
3609
|
+
"knowledge_url": "https://github.com/skilled-scipkg/yt",
|
|
3610
|
+
"source_archive_url": "https://github.com/skilled-scipkg/yt/archive/refs/heads/main.zip",
|
|
3611
|
+
"upstream_repo_url": "https://github.com/yt-project/yt",
|
|
3612
|
+
"homepage_url": "http://yt-project.org",
|
|
3613
|
+
"card": "references/packages/yt.md"
|
|
3614
|
+
}
|
|
3615
|
+
]
|
|
3616
|
+
}
|