workbench 0.8.224__py3-none-any.whl → 0.8.234__py3-none-any.whl

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.
Files changed (61) hide show
  1. workbench/__init__.py +1 -0
  2. workbench/algorithms/dataframe/__init__.py +2 -0
  3. workbench/algorithms/dataframe/smart_aggregator.py +161 -0
  4. workbench/algorithms/sql/column_stats.py +0 -1
  5. workbench/algorithms/sql/correlations.py +0 -1
  6. workbench/algorithms/sql/descriptive_stats.py +0 -1
  7. workbench/api/meta.py +0 -1
  8. workbench/cached/cached_meta.py +0 -1
  9. workbench/cached/cached_model.py +37 -7
  10. workbench/core/artifacts/endpoint_core.py +12 -2
  11. workbench/core/artifacts/feature_set_core.py +66 -8
  12. workbench/core/cloud_platform/cloud_meta.py +0 -1
  13. workbench/model_script_utils/model_script_utils.py +30 -0
  14. workbench/model_script_utils/uq_harness.py +0 -1
  15. workbench/model_scripts/chemprop/chemprop.template +3 -0
  16. workbench/model_scripts/chemprop/generated_model_script.py +3 -3
  17. workbench/model_scripts/chemprop/model_script_utils.py +30 -0
  18. workbench/model_scripts/custom_models/chem_info/mol_descriptors.py +0 -1
  19. workbench/model_scripts/custom_models/chem_info/molecular_descriptors.py +0 -1
  20. workbench/model_scripts/custom_models/chem_info/morgan_fingerprints.py +0 -1
  21. workbench/model_scripts/pytorch_model/generated_model_script.py +50 -32
  22. workbench/model_scripts/pytorch_model/model_script_utils.py +30 -0
  23. workbench/model_scripts/pytorch_model/pytorch.template +47 -29
  24. workbench/model_scripts/pytorch_model/uq_harness.py +0 -1
  25. workbench/model_scripts/script_generation.py +0 -1
  26. workbench/model_scripts/xgb_model/model_script_utils.py +30 -0
  27. workbench/model_scripts/xgb_model/uq_harness.py +0 -1
  28. workbench/themes/dark/custom.css +85 -8
  29. workbench/themes/dark/plotly.json +6 -6
  30. workbench/themes/light/custom.css +172 -70
  31. workbench/themes/light/plotly.json +9 -9
  32. workbench/themes/midnight_blue/custom.css +48 -29
  33. workbench/themes/midnight_blue/plotly.json +1 -1
  34. workbench/utils/aws_utils.py +0 -1
  35. workbench/utils/chem_utils/mol_descriptors.py +0 -1
  36. workbench/utils/chem_utils/vis.py +137 -27
  37. workbench/utils/clientside_callbacks.py +41 -0
  38. workbench/utils/markdown_utils.py +61 -0
  39. workbench/utils/pipeline_utils.py +0 -1
  40. workbench/utils/plot_utils.py +8 -110
  41. workbench/web_interface/components/experiments/outlier_plot.py +0 -1
  42. workbench/web_interface/components/model_plot.py +2 -0
  43. workbench/web_interface/components/plugin_unit_test.py +0 -1
  44. workbench/web_interface/components/plugins/ag_table.py +2 -4
  45. workbench/web_interface/components/plugins/confusion_matrix.py +3 -6
  46. workbench/web_interface/components/plugins/model_details.py +28 -11
  47. workbench/web_interface/components/plugins/scatter_plot.py +56 -43
  48. workbench/web_interface/components/settings_menu.py +2 -1
  49. workbench/web_interface/page_views/main_page.py +0 -1
  50. {workbench-0.8.224.dist-info → workbench-0.8.234.dist-info}/METADATA +31 -29
  51. {workbench-0.8.224.dist-info → workbench-0.8.234.dist-info}/RECORD +55 -59
  52. {workbench-0.8.224.dist-info → workbench-0.8.234.dist-info}/WHEEL +1 -1
  53. workbench/themes/quartz/base_css.url +0 -1
  54. workbench/themes/quartz/custom.css +0 -117
  55. workbench/themes/quartz/plotly.json +0 -642
  56. workbench/themes/quartz_dark/base_css.url +0 -1
  57. workbench/themes/quartz_dark/custom.css +0 -131
  58. workbench/themes/quartz_dark/plotly.json +0 -642
  59. {workbench-0.8.224.dist-info → workbench-0.8.234.dist-info}/entry_points.txt +0 -0
  60. {workbench-0.8.224.dist-info → workbench-0.8.234.dist-info}/licenses/LICENSE +0 -0
  61. {workbench-0.8.224.dist-info → workbench-0.8.234.dist-info}/top_level.txt +0 -0
@@ -1,13 +1,14 @@
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- workbench/__init__.py,sha256=Kbp7lpicM-LH4ODhViZyas4uuvlDUzZQW8Dioks19Dc,1241
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+ workbench/__init__.py,sha256=ma3L2v67hV4p10Tcky3RKzUJO-ls1Qx3Sbt4vg5JfOQ,1242
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  workbench/algorithms/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  workbench/algorithms/dataframe/Readme.md,sha256=ZoCEi2BRJ4ZH0wlkFELTV_njIvYt7Wnhanuv4eoFluw,378
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- workbench/algorithms/dataframe/__init__.py,sha256=AXpwD4WYOk7odNS9vaKSO0DM-bMRuC93faq0JAltQ54,419
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+ workbench/algorithms/dataframe/__init__.py,sha256=QHxW2VHYDPBVDkkJMADvew2D3K65s7OYXRYchcPsImY,490
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  workbench/algorithms/dataframe/compound_dataset_overlap.py,sha256=rE3UvPnDDUAQXcZOHde2W4HdVixak4BVTM6ftolL4-Y,12694
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  workbench/algorithms/dataframe/data_source_eda.py,sha256=WgVL6tzBCw1tznQr8RQ6daQnTxQ0-DQUiMwbjztVMSU,1606
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  workbench/algorithms/dataframe/feature_space_proximity.py,sha256=FYsQd5Lf5CrSWi-1Dcs_NVFN86izifxkWk1-EOvEV54,6950
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  workbench/algorithms/dataframe/fingerprint_proximity.py,sha256=EJhbiio99-6ZyymswFD69pmLQa2UECclvt2-mWfp3-M,20174
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  workbench/algorithms/dataframe/projection_2d.py,sha256=UgdAWYXFxCdMGZpWSbRSPbjZAGjaumP7va1FyUnwiIA,9114
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  workbench/algorithms/dataframe/proximity.py,sha256=Qbgs9uhfQTceXWXf-fc26aYMPsQrZLOHuFUm8KqQHmc,13387
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+ workbench/algorithms/dataframe/smart_aggregator.py,sha256=AZ790s5nxeOezPQzojmVB3DR5Q2kh27-8X8rxmpp0SA,6401
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  workbench/algorithms/dataframe/storage/aggregation.py,sha256=VuTb7A6Vh6IS5djZeItvOLnnEOlf7tzMQ8OaYIuftvU,2852
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  workbench/algorithms/dataframe/storage/feature_resolution.py,sha256=w_iLf8EFTg7Jc5laH-bsq8MEtZVqcg05W-GihCqR-r4,9450
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  workbench/algorithms/dataframe/storage/feature_spider.py,sha256=uIZ4JHIKuhpy08wBFReSrohb5DGxx8vGroHUbjPm1jE,14353
@@ -24,9 +25,9 @@ workbench/algorithms/models/noise_model.py,sha256=WVCKjda_-p0ovj-Ze6eKmKREO-3rJl
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  workbench/algorithms/spark/Readme.md,sha256=18bPoFISlT3Ls5t1cBGb5N5Z6lOWyJupQkQxab1wcO4,615
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  workbench/algorithms/sql/Readme.md,sha256=fzm4jQ-unJWT-fp5JhIjpApYSAqHUGSiuHE0eNfbF4A,685
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  workbench/algorithms/sql/__init__.py,sha256=TbOZQwCfx6Tjc3pCCLCiM31wpCX26j5MBNQ6yG11EwY,462
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- workbench/algorithms/sql/column_stats.py,sha256=IwgddvPVITdAvUgxaK_px2IVSEX-jA-8cPIVFoVkbN8,5943
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- workbench/algorithms/sql/correlations.py,sha256=0DMgAkzIdR0cApQ_5vs4CxPSRz1qItcAToz7GAOFqzI,3935
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- workbench/algorithms/sql/descriptive_stats.py,sha256=VxSR5zQi8NmAWrJvOCO3wrmgVHYrwhenSy5Gl0AOqoo,4075
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+ workbench/algorithms/sql/column_stats.py,sha256=Y9XUko5yDdL68hxoQXf7UvOFr5j0PTGyCZNV9WRegOE,5942
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+ workbench/algorithms/sql/correlations.py,sha256=Bthq2kH_E0x_Ux-sWJIYjC6Pz8gVXWBpAal_qHNW1Y4,3934
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+ workbench/algorithms/sql/descriptive_stats.py,sha256=zDYvE3wjNqWt7e3z-Ba3U03ya4QTDoTF-RW7TQdQiWY,4074
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  workbench/algorithms/sql/outliers.py,sha256=LbOYaE3bNR4x-aEIrA2KAX3Aq07ZowRgrW9buCeKisQ,10663
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  workbench/algorithms/sql/sample_rows.py,sha256=SRYoGb24QP_iPvOoW9bGZ95yZuseYDtyoNhilfoLu34,2688
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  workbench/algorithms/sql/value_counts.py,sha256=F-rZoLTTKv1cHYl2_tDlvWDjczy76uLTr3EMHa-WrEk,3340
@@ -37,7 +38,7 @@ workbench/api/df_store.py,sha256=1qSYM3Xb4MwMMTMaF3CX0hOCEzhIbnra5Deivg4cryk,301
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  workbench/api/endpoint.py,sha256=tvPINPv_EFwphuZ3tv09jwO6dee-DRH371ZzXrrUxfM,3897
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  workbench/api/feature_set.py,sha256=-21ztp7JDqs7CKF3KtNdPoXppkiDqfb4JVK8xBK9rIY,10966
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  workbench/api/graph_store.py,sha256=LremJyPrQFgsHb7hxsctuCsoxx3p7TKtaY5qALHe6pc,4372
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- workbench/api/meta.py,sha256=1_9989cPvf3hd3tA-83hLijOGNnhwXAF8aZF45adeDQ,8596
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+ workbench/api/meta.py,sha256=1JxCpLn4JENiWUJaVjGgDL7WqhIy-s1swUbBzprI-uY,8595
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  workbench/api/meta_model.py,sha256=2DpjjBSw60QPMWQ2sTu2492PrFWFMXK8hH9U13gXzi8,11226
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  workbench/api/model.py,sha256=uU2sO7qm1wqdVhl7WVzzg79p1Z26Kf5inMhYzgmhzDw,5523
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  workbench/api/monitor.py,sha256=Cez89Uac7Tzt47FxkjoX-YDGccEhvBcxw3sZFtw4ud8,4506
@@ -47,8 +48,8 @@ workbench/cached/__init__.py,sha256=wvTyIFvusv2HjU3yop6OSr3js5_-SZuR8nPmlCuZQJ4,
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  workbench/cached/cached_data_source.py,sha256=A0o4H9g1aEms8HkOHWnb46vJ5fx6ebs1aCYaQcf8gPI,2649
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  workbench/cached/cached_endpoint.py,sha256=HxS8V9MF43uSy-Yu-pAs15PbNeq6u_JGXU332DDIQMc,2630
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  workbench/cached/cached_feature_set.py,sha256=vJe2WUTeIyMAvCM1Jp-sPLbX6S0Y7jv51FAhhMgrSDE,2780
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- workbench/cached/cached_meta.py,sha256=DTlnb6jblviVmSg9w0F6LRVIuQ_lWBNqGh8vqKP5Baw,12257
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- workbench/cached/cached_model.py,sha256=c2DosGbGLPnlBrjt67uXoMrAVOVS8tsljUTyflpOHac,4340
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+ workbench/cached/cached_meta.py,sha256=wOuqWiXoJPxl2HUlslUvyrUQigrzXWwgMYZFQ9y5k5c,12256
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+ workbench/cached/cached_model.py,sha256=c4KxmHGFgBbHgtb_mJckQcQZEidZtKAtxwmMJd6Tfhk,5684
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  workbench/cached/cached_pipeline.py,sha256=QOVnEKu5RbIdlNpJUi-0Ebh0_-C68RigSPwKh4dvZTM,1948
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  workbench/core/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  workbench/core/artifacts/__init__.py,sha256=ukcgbYlI9m99bzwaBNO01K1h0-cQkzsbh_jT_GyQ-LY,1034
@@ -59,12 +60,12 @@ workbench/core/artifacts/data_capture_core.py,sha256=q8f79rRTYiZ7T4IQRWXl8ZvPpcv
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  workbench/core/artifacts/df_store_core.py,sha256=AueNr_JvuLLu_ByE7cb3u-isH9u0Q7cMP-UCgCX-Ctg,3536
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- workbench/core/artifacts/endpoint_core.py,sha256=fLOxgwNmbsrOpKafXN8zLCzazKdpJQZr2zanKJ14KRc,54057
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- workbench/core/artifacts/feature_set_core.py,sha256=HjZd_RoP07piwALzt0eAjk3co-YJ6B88UdEfv-7Kx40,39404
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+ workbench/core/artifacts/endpoint_core.py,sha256=kf8OuQhevoEcS_1j861SS1qWVLPfD6F964YCfk4Gx5w,54645
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+ workbench/core/artifacts/feature_set_core.py,sha256=IjSUpxpj2S611uo5LmnOK-aH3CZhfbC5ztC02PQ5gqE,42128
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- workbench/core/cloud_platform/cloud_meta.py,sha256=-g4-LTC3D0PXb3VfaXdLR1ERijKuHdffeMK_zhD-koQ,8809
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+ workbench/core/cloud_platform/cloud_meta.py,sha256=QFEsGfqhaCkw9Jl4PRln-xRaHnt-ecMoeTOg6uyrQCM,8808
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@@ -126,20 +127,20 @@ workbench/core/views/training_view.py,sha256=7HwhbQhDBhT3Zo_gssS-b4eueJ0h9nqqT8Y
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- workbench/model_script_utils/model_script_utils.py,sha256=rGPdjxmQUPcZNXK_8nKYQWb7IPQ5ietne7UMYRQZpMo,11841
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+ workbench/model_script_utils/model_script_utils.py,sha256=kIB_RUBBPAXyTCnrQRZuAjM6AwNlVW5It_U1RaXuaBI,12806
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- workbench/model_script_utils/uq_harness.py,sha256=70b7dI9Wls03ff6zm2TpfKIsboVBKsj7P7fNzmMe6c0,10305
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- workbench/model_scripts/script_generation.py,sha256=w3L2VYGnGUvBtd01BWzH38DuHKULtYsc_Xz_3_Eavvo,8258
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- workbench/model_scripts/chemprop/chemprop.template,sha256=0d_7Pmna6UCR1lyx6cdXnP9eC_sSXW9dOqXx-5W0MX4,35814
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- workbench/model_scripts/chemprop/generated_model_script.py,sha256=j-XxQ0qLDQpWykAkuv4p2hmFxedriL30muw6pOc2W-c,36003
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- workbench/model_scripts/chemprop/model_script_utils.py,sha256=rGPdjxmQUPcZNXK_8nKYQWb7IPQ5ietne7UMYRQZpMo,11841
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+ workbench/model_script_utils/uq_harness.py,sha256=zzFgQrNCtUyDMWxY7tjlFiHFBzPP6LWGyFBPr-PyKug,10304
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+ workbench/model_scripts/script_generation.py,sha256=Sv0OJdASNKk1KXr8goiZWUL5W7i8G8gBb_R_OTb8caI,8257
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+ workbench/model_scripts/chemprop/chemprop.template,sha256=3AQuepH9JjR7fSeMd4qx9fZUr6KbW5je29SKKk5W7qA,35932
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+ workbench/model_scripts/chemprop/generated_model_script.py,sha256=kYxJQ2qaQDGit0paaKIDZPvx2Phs6B1ury_5jTpC1AU,35836
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+ workbench/model_scripts/chemprop/model_script_utils.py,sha256=kIB_RUBBPAXyTCnrQRZuAjM6AwNlVW5It_U1RaXuaBI,12806
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- workbench/model_scripts/custom_models/chem_info/mol_descriptors.py,sha256=c8gkHZ-8s3HJaW9zN9pnYGK7YVW8Y0xFqQ1G_ysrF2Y,18789
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+ workbench/model_scripts/custom_models/chem_info/mol_descriptors.py,sha256=YOmsz2vKRvwvbzgfHRhQJwx6n2_AxK_dN2a5EIpY6jI,18788
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- workbench/model_scripts/custom_models/chem_info/morgan_fingerprints.py,sha256=LqVh_AHObo0uxHt_uNmeemScTLjM2j9C3I_QFJXdmUI,3232
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+ workbench/model_scripts/custom_models/chem_info/molecular_descriptors.py,sha256=BaoNWKXeXbw_ph1K6et7CnwRMoi5qkdcGpmdhOmbJ6o,2890
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+ workbench/model_scripts/custom_models/chem_info/morgan_fingerprints.py,sha256=GrdQyHmrNWYALs63MNy3z7PBhxNRqN4it9t_WvYFCBk,3231
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@@ -159,20 +160,20 @@ workbench/model_scripts/ensemble_xgb/ensemble_xgb.template,sha256=lMEx0IkawcpTI5
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- workbench/model_scripts/pytorch_model/generated_model_script.py,sha256=FEpTjCDSbw-xAqLNGXas90KsN2-h7qs78nc24VNeBx8,25348
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- workbench/model_scripts/pytorch_model/model_script_utils.py,sha256=rGPdjxmQUPcZNXK_8nKYQWb7IPQ5ietne7UMYRQZpMo,11841
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- workbench/model_scripts/pytorch_model/pytorch.template,sha256=KOH7nhq_3u0pHmjGymY5aycF0_ZlwLQ16qmDKUQcE9k,21091
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+ workbench/model_scripts/pytorch_model/generated_model_script.py,sha256=sdR3tFidxeSgZUTwbyeSXl0bYSHqUrCjOifYkvCkfWM,26412
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+ workbench/model_scripts/pytorch_model/model_script_utils.py,sha256=kIB_RUBBPAXyTCnrQRZuAjM6AwNlVW5It_U1RaXuaBI,12806
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+ workbench/model_scripts/pytorch_model/pytorch.template,sha256=KrQw66cTGFvRLkwOhjM31BYAxdBX33MT-QGBWX6tN5c,22172
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  Wheel-Version: 1.0
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- Generator: setuptools (80.9.0)
2
+ Generator: setuptools (80.10.1)
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  Root-Is-Purelib: true
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4
  Tag: py3-none-any
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5
 
@@ -1 +0,0 @@
1
- dbc.themes.QUARTZ
@@ -1,117 +0,0 @@
1
- h1, h2, h3, h4 {
2
- color: rgb(255, 255, 255); /* We want the text to dark gray */
3
- }
4
- body {
5
- color: rgb(240, 240, 240); /* We want the text to dark gray */
6
- }
7
-
8
- /* Custom CSS to style bold text */
9
- b, strong {
10
- color: rgb(220, 140, 240); /* Replace with your desired RGB color */
11
- }
12
-
13
- /* Links in Quartz are pink and hard to see */
14
- /* Default link color */
15
- a {
16
- color: rgb(80, 80, 240); /* Change to your preferred color */
17
- }
18
-
19
- /* Reduce spacing around lists */
20
- p {
21
- margin-bottom: 0 !important;
22
- }
23
- ul, ol {
24
- margin-top: 0 !important;
25
- margin-bottom: 0.25em !important;
26
- }
27
-
28
- /* Hover effect */
29
- a:hover {
30
- color: rgb(100, 100, 255); /* Change hover color */
31
- }
32
-
33
- /* AgGrid custom CSS */
34
-
35
- /* There's a one pixel border around the grid that we want to remove */
36
- .ag-root-wrapper {
37
- border: none !important; /* Force removal with !important */
38
- }
39
-
40
-
41
- /* Box shadow and rounded corners for all AgGrid themes */
42
- [class*="ag-theme-"] {
43
- box-shadow: 2px 2px 6px 5px rgba(0, 0, 0, 0.25);
44
- border-radius: 12px; /* Rounded corners */
45
- border: 0.5px solid rgba(0, 0, 0, 0.5);
46
- margin: 0;
47
- padding: 0;
48
- }
49
-
50
- /* Apply styling to Workbench containers */
51
- .workbench-container {
52
- box-shadow: 2px 2px 6px 5px rgba(0, 0, 0, 0.2);
53
- border-radius: 12px; /* Rounded corners */
54
- background-color: rgb(104, 109, 195) /* Light Purple */
55
- }
56
-
57
- /* Apply styling to custom tooltips */
58
- .custom-tooltip {
59
- box-shadow: 2px 2px 6px 5px rgba(0, 0, 0, 0.25);
60
- border-radius: 25px; /* Rounded corners */
61
- overflow: hidden; /* Ensure contents fit inside the rounded corners */
62
- border: 1px solid rgba(40, 40, 40, 1); /* 1-pixel grey */
63
- }
64
-
65
- /* Some of the HTML/Markdown will use color hints like 'green-text' or 'blue-text' */
66
- .green-text {
67
- color: rgb(140, 255, 140);
68
- }
69
-
70
- .blue-text {
71
- color: rgb(170, 170, 255);
72
- }
73
-
74
- .pink-text {
75
- color: rgb(240, 140, 240);
76
- }
77
-
78
- .red-text {
79
- color: rgb(255, 140, 140);
80
- }
81
-
82
- .orange-text {
83
- color: rgb(255, 195, 140);
84
- }
85
-
86
- .alert {
87
- color: rgb(200, 60, 100);
88
- }
89
-
90
- .warning {
91
- color: rgb(200, 140, 90);
92
- }
93
-
94
- .good {
95
- color: rgb(40, 100, 40);
96
- }
97
-
98
-
99
- /* Table styling */
100
- table {
101
- width: 100%;
102
- }
103
-
104
- th {
105
- padding: 10px;
106
- border: 1px solid #444;
107
- background-color: rgb(40, 40, 40);
108
- color: rgb(160, 120, 240);
109
- font-weight: bold;
110
- text-align: center !important;
111
- }
112
-
113
- td {
114
- padding: 5px;
115
- border: 0.5px solid #444;
116
- text-align: center !important;
117
- }