@bgicli/bgicli 2.1.1 → 2.2.0

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.
Files changed (1266) hide show
  1. package/data/skills/aav-vector-design-agent/SKILL.md +198 -0
  2. package/data/skills/adaptyv/SKILL.md +112 -0
  3. package/data/skills/adhd-daily-planner/SKILL.md +271 -0
  4. package/data/skills/aeon/SKILL.md +372 -0
  5. package/data/skills/agent-browser/SKILL.md +159 -0
  6. package/data/skills/agentd-drug-discovery/SKILL.md +52 -0
  7. package/data/skills/ai-analyzer/SKILL.md +218 -0
  8. package/data/skills/alphafold/SKILL.md +183 -0
  9. package/data/skills/alphafold-database/SKILL.md +500 -0
  10. package/data/skills/anndata/SKILL.md +394 -0
  11. package/data/skills/antibody-design-agent/SKILL.md +64 -0
  12. package/data/skills/arboreto/SKILL.md +237 -0
  13. package/data/skills/armored-cart-design-agent/SKILL.md +225 -0
  14. package/data/skills/arxiv-search/SKILL.md +224 -0
  15. package/data/skills/autonomous-oncology-agent/SKILL.md +77 -0
  16. package/data/skills/bayesian-optimizer/SKILL.md +60 -0
  17. package/data/skills/benchling-integration/SKILL.md +473 -0
  18. package/data/skills/bgpt-paper-search/SKILL.md +81 -0
  19. package/data/skills/bindcraft/SKILL.md +198 -0
  20. package/data/skills/binder-design/SKILL.md +182 -0
  21. package/data/skills/binding-characterization/SKILL.md +234 -0
  22. package/data/skills/bindingdb-database/SKILL.md +332 -0
  23. package/data/skills/bio-admet-prediction/SKILL.md +224 -0
  24. package/data/skills/bio-alignment-files-bam-statistics/SKILL.md +340 -0
  25. package/data/skills/bio-alignment-filtering/SKILL.md +322 -0
  26. package/data/skills/bio-alignment-indexing/SKILL.md +249 -0
  27. package/data/skills/bio-alignment-io/SKILL.md +301 -0
  28. package/data/skills/bio-alignment-msa-parsing/SKILL.md +366 -0
  29. package/data/skills/bio-alignment-msa-statistics/SKILL.md +375 -0
  30. package/data/skills/bio-alignment-pairwise/SKILL.md +277 -0
  31. package/data/skills/bio-alignment-sorting/SKILL.md +296 -0
  32. package/data/skills/bio-alignment-validation/SKILL.md +374 -0
  33. package/data/skills/bio-atac-seq-atac-peak-calling/SKILL.md +221 -0
  34. package/data/skills/bio-atac-seq-atac-qc/SKILL.md +292 -0
  35. package/data/skills/bio-atac-seq-differential-accessibility/SKILL.md +268 -0
  36. package/data/skills/bio-atac-seq-footprinting/SKILL.md +256 -0
  37. package/data/skills/bio-atac-seq-motif-deviation/SKILL.md +319 -0
  38. package/data/skills/bio-atac-seq-nucleosome-positioning/SKILL.md +321 -0
  39. package/data/skills/bio-basecalling/SKILL.md +368 -0
  40. package/data/skills/bio-batch-downloads/SKILL.md +384 -0
  41. package/data/skills/bio-batch-processing/SKILL.md +303 -0
  42. package/data/skills/bio-bedgraph-handling/SKILL.md +336 -0
  43. package/data/skills/bio-blast-searches/SKILL.md +354 -0
  44. package/data/skills/bio-causal-genomics-colocalization-analysis/SKILL.md +264 -0
  45. package/data/skills/bio-causal-genomics-fine-mapping/SKILL.md +267 -0
  46. package/data/skills/bio-causal-genomics-mediation-analysis/SKILL.md +264 -0
  47. package/data/skills/bio-causal-genomics-mendelian-randomization/SKILL.md +221 -0
  48. package/data/skills/bio-causal-genomics-pleiotropy-detection/SKILL.md +292 -0
  49. package/data/skills/bio-cfdna-preprocessing/SKILL.md +200 -0
  50. package/data/skills/bio-chipseq-differential-binding/SKILL.md +262 -0
  51. package/data/skills/bio-chipseq-motif-analysis/SKILL.md +387 -0
  52. package/data/skills/bio-chipseq-peak-annotation/SKILL.md +239 -0
  53. package/data/skills/bio-chipseq-peak-calling/SKILL.md +277 -0
  54. package/data/skills/bio-chipseq-qc/SKILL.md +391 -0
  55. package/data/skills/bio-chipseq-super-enhancers/SKILL.md +288 -0
  56. package/data/skills/bio-chipseq-visualization/SKILL.md +289 -0
  57. package/data/skills/bio-clinical-databases-clinvar-lookup/SKILL.md +188 -0
  58. package/data/skills/bio-clinical-databases-dbsnp-queries/SKILL.md +171 -0
  59. package/data/skills/bio-clinical-databases-gnomad-frequencies/SKILL.md +205 -0
  60. package/data/skills/bio-clinical-databases-hla-typing/SKILL.md +248 -0
  61. package/data/skills/bio-clinical-databases-myvariant-queries/SKILL.md +174 -0
  62. package/data/skills/bio-clinical-databases-pharmacogenomics/SKILL.md +232 -0
  63. package/data/skills/bio-clinical-databases-polygenic-risk/SKILL.md +276 -0
  64. package/data/skills/bio-clinical-databases-somatic-signatures/SKILL.md +261 -0
  65. package/data/skills/bio-clinical-databases-tumor-mutational-burden/SKILL.md +301 -0
  66. package/data/skills/bio-clinical-databases-variant-prioritization/SKILL.md +225 -0
  67. package/data/skills/bio-clip-seq-binding-site-annotation/SKILL.md +66 -0
  68. package/data/skills/bio-clip-seq-clip-alignment/SKILL.md +70 -0
  69. package/data/skills/bio-clip-seq-clip-motif-analysis/SKILL.md +62 -0
  70. package/data/skills/bio-clip-seq-clip-peak-calling/SKILL.md +282 -0
  71. package/data/skills/bio-clip-seq-clip-preprocessing/SKILL.md +142 -0
  72. package/data/skills/bio-codon-usage/SKILL.md +353 -0
  73. package/data/skills/bio-comparative-genomics-ancestral-reconstruction/SKILL.md +312 -0
  74. package/data/skills/bio-comparative-genomics-hgt-detection/SKILL.md +341 -0
  75. package/data/skills/bio-comparative-genomics-ortholog-inference/SKILL.md +308 -0
  76. package/data/skills/bio-comparative-genomics-positive-selection/SKILL.md +354 -0
  77. package/data/skills/bio-comparative-genomics-synteny-analysis/SKILL.md +315 -0
  78. package/data/skills/bio-compressed-files/SKILL.md +263 -0
  79. package/data/skills/bio-consensus-sequences/SKILL.md +340 -0
  80. package/data/skills/bio-copy-number-cnv-annotation/SKILL.md +307 -0
  81. package/data/skills/bio-copy-number-cnv-visualization/SKILL.md +294 -0
  82. package/data/skills/bio-copy-number-cnvkit-analysis/SKILL.md +290 -0
  83. package/data/skills/bio-copy-number-gatk-cnv/SKILL.md +270 -0
  84. package/data/skills/bio-crispr-screens-base-editing-analysis/SKILL.md +110 -0
  85. package/data/skills/bio-crispr-screens-batch-correction/SKILL.md +316 -0
  86. package/data/skills/bio-crispr-screens-crispresso-editing/SKILL.md +205 -0
  87. package/data/skills/bio-crispr-screens-hit-calling/SKILL.md +264 -0
  88. package/data/skills/bio-crispr-screens-jacks-analysis/SKILL.md +313 -0
  89. package/data/skills/bio-crispr-screens-library-design/SKILL.md +417 -0
  90. package/data/skills/bio-crispr-screens-mageck-analysis/SKILL.md +222 -0
  91. package/data/skills/bio-crispr-screens-screen-qc/SKILL.md +243 -0
  92. package/data/skills/bio-ctdna-mutation-detection/SKILL.md +234 -0
  93. package/data/skills/bio-data-visualization-circos-plots/SKILL.md +405 -0
  94. package/data/skills/bio-data-visualization-color-palettes/SKILL.md +244 -0
  95. package/data/skills/bio-data-visualization-genome-browser-tracks/SKILL.md +328 -0
  96. package/data/skills/bio-data-visualization-genome-tracks/SKILL.md +249 -0
  97. package/data/skills/bio-data-visualization-ggplot2-fundamentals/SKILL.md +313 -0
  98. package/data/skills/bio-data-visualization-heatmaps-clustering/SKILL.md +227 -0
  99. package/data/skills/bio-data-visualization-interactive-visualization/SKILL.md +210 -0
  100. package/data/skills/bio-data-visualization-multipanel-figures/SKILL.md +274 -0
  101. package/data/skills/bio-data-visualization-specialized-omics-plots/SKILL.md +251 -0
  102. package/data/skills/bio-data-visualization-upset-plots/SKILL.md +228 -0
  103. package/data/skills/bio-data-visualization-volcano-customization/SKILL.md +233 -0
  104. package/data/skills/bio-de-deseq2-basics/SKILL.md +376 -0
  105. package/data/skills/bio-de-edger-basics/SKILL.md +418 -0
  106. package/data/skills/bio-de-results/SKILL.md +378 -0
  107. package/data/skills/bio-de-visualization/SKILL.md +408 -0
  108. package/data/skills/bio-differential-expression-batch-correction/SKILL.md +253 -0
  109. package/data/skills/bio-differential-expression-timeseries-de/SKILL.md +370 -0
  110. package/data/skills/bio-differential-splicing/SKILL.md +177 -0
  111. package/data/skills/bio-duplicate-handling/SKILL.md +292 -0
  112. package/data/skills/bio-entrez-fetch/SKILL.md +334 -0
  113. package/data/skills/bio-entrez-link/SKILL.md +325 -0
  114. package/data/skills/bio-entrez-search/SKILL.md +311 -0
  115. package/data/skills/bio-epidemiological-genomics-amr-surveillance/SKILL.md +233 -0
  116. package/data/skills/bio-epidemiological-genomics-pathogen-typing/SKILL.md +202 -0
  117. package/data/skills/bio-epidemiological-genomics-phylodynamics/SKILL.md +207 -0
  118. package/data/skills/bio-epidemiological-genomics-transmission-inference/SKILL.md +237 -0
  119. package/data/skills/bio-epidemiological-genomics-variant-surveillance/SKILL.md +237 -0
  120. package/data/skills/bio-epitranscriptomics-m6a-differential/SKILL.md +88 -0
  121. package/data/skills/bio-epitranscriptomics-m6a-peak-calling/SKILL.md +89 -0
  122. package/data/skills/bio-epitranscriptomics-m6anet-analysis/SKILL.md +101 -0
  123. package/data/skills/bio-epitranscriptomics-merip-preprocessing/SKILL.md +81 -0
  124. package/data/skills/bio-epitranscriptomics-modification-visualization/SKILL.md +98 -0
  125. package/data/skills/bio-experimental-design-batch-design/SKILL.md +110 -0
  126. package/data/skills/bio-experimental-design-multiple-testing/SKILL.md +98 -0
  127. package/data/skills/bio-experimental-design-power-analysis/SKILL.md +84 -0
  128. package/data/skills/bio-experimental-design-sample-size/SKILL.md +93 -0
  129. package/data/skills/bio-expression-matrix-counts-ingest/SKILL.md +220 -0
  130. package/data/skills/bio-expression-matrix-gene-id-mapping/SKILL.md +256 -0
  131. package/data/skills/bio-expression-matrix-metadata-joins/SKILL.md +271 -0
  132. package/data/skills/bio-expression-matrix-sparse-handling/SKILL.md +247 -0
  133. package/data/skills/bio-fastq-quality/SKILL.md +279 -0
  134. package/data/skills/bio-filter-sequences/SKILL.md +265 -0
  135. package/data/skills/bio-flow-cytometry-bead-normalization/SKILL.md +315 -0
  136. package/data/skills/bio-flow-cytometry-clustering-phenotyping/SKILL.md +237 -0
  137. package/data/skills/bio-flow-cytometry-compensation-transformation/SKILL.md +196 -0
  138. package/data/skills/bio-flow-cytometry-cytometry-qc/SKILL.md +382 -0
  139. package/data/skills/bio-flow-cytometry-differential-analysis/SKILL.md +217 -0
  140. package/data/skills/bio-flow-cytometry-doublet-detection/SKILL.md +288 -0
  141. package/data/skills/bio-flow-cytometry-fcs-handling/SKILL.md +221 -0
  142. package/data/skills/bio-flow-cytometry-gating-analysis/SKILL.md +193 -0
  143. package/data/skills/bio-format-conversion/SKILL.md +193 -0
  144. package/data/skills/bio-fragment-analysis/SKILL.md +214 -0
  145. package/data/skills/bio-gatk-variant-calling/SKILL.md +422 -0
  146. package/data/skills/bio-genome-assembly-assembly-polishing/SKILL.md +333 -0
  147. package/data/skills/bio-genome-assembly-assembly-qc/SKILL.md +344 -0
  148. package/data/skills/bio-genome-assembly-contamination-detection/SKILL.md +235 -0
  149. package/data/skills/bio-genome-assembly-hifi-assembly/SKILL.md +178 -0
  150. package/data/skills/bio-genome-assembly-long-read-assembly/SKILL.md +307 -0
  151. package/data/skills/bio-genome-assembly-metagenome-assembly/SKILL.md +227 -0
  152. package/data/skills/bio-genome-assembly-scaffolding/SKILL.md +204 -0
  153. package/data/skills/bio-genome-assembly-short-read-assembly/SKILL.md +319 -0
  154. package/data/skills/bio-genome-engineering-base-editing-design/SKILL.md +277 -0
  155. package/data/skills/bio-genome-engineering-grna-design/SKILL.md +221 -0
  156. package/data/skills/bio-genome-engineering-hdr-template-design/SKILL.md +264 -0
  157. package/data/skills/bio-genome-engineering-off-target-prediction/SKILL.md +232 -0
  158. package/data/skills/bio-genome-engineering-prime-editing-design/SKILL.md +275 -0
  159. package/data/skills/bio-genome-intervals-bed-file-basics/SKILL.md +357 -0
  160. package/data/skills/bio-genome-intervals-bigwig-tracks/SKILL.md +351 -0
  161. package/data/skills/bio-genome-intervals-coverage-analysis/SKILL.md +300 -0
  162. package/data/skills/bio-genome-intervals-gtf-gff-handling/SKILL.md +345 -0
  163. package/data/skills/bio-genome-intervals-interval-arithmetic/SKILL.md +485 -0
  164. package/data/skills/bio-genome-intervals-proximity-operations/SKILL.md +337 -0
  165. package/data/skills/bio-geo-data/SKILL.md +380 -0
  166. package/data/skills/bio-hi-c-analysis-compartment-analysis/SKILL.md +261 -0
  167. package/data/skills/bio-hi-c-analysis-contact-pairs/SKILL.md +278 -0
  168. package/data/skills/bio-hi-c-analysis-hic-data-io/SKILL.md +260 -0
  169. package/data/skills/bio-hi-c-analysis-hic-differential/SKILL.md +328 -0
  170. package/data/skills/bio-hi-c-analysis-hic-visualization/SKILL.md +297 -0
  171. package/data/skills/bio-hi-c-analysis-loop-calling/SKILL.md +284 -0
  172. package/data/skills/bio-hi-c-analysis-matrix-operations/SKILL.md +274 -0
  173. package/data/skills/bio-hi-c-analysis-tad-detection/SKILL.md +239 -0
  174. package/data/skills/bio-imaging-mass-cytometry-cell-segmentation/SKILL.md +241 -0
  175. package/data/skills/bio-imaging-mass-cytometry-data-preprocessing/SKILL.md +279 -0
  176. package/data/skills/bio-imaging-mass-cytometry-interactive-annotation/SKILL.md +304 -0
  177. package/data/skills/bio-imaging-mass-cytometry-phenotyping/SKILL.md +231 -0
  178. package/data/skills/bio-imaging-mass-cytometry-quality-metrics/SKILL.md +316 -0
  179. package/data/skills/bio-imaging-mass-cytometry-spatial-analysis/SKILL.md +246 -0
  180. package/data/skills/bio-immunoinformatics-epitope-prediction/SKILL.md +259 -0
  181. package/data/skills/bio-immunoinformatics-immunogenicity-scoring/SKILL.md +275 -0
  182. package/data/skills/bio-immunoinformatics-mhc-binding-prediction/SKILL.md +260 -0
  183. package/data/skills/bio-immunoinformatics-neoantigen-prediction/SKILL.md +277 -0
  184. package/data/skills/bio-immunoinformatics-tcr-epitope-binding/SKILL.md +257 -0
  185. package/data/skills/bio-isoform-switching/SKILL.md +192 -0
  186. package/data/skills/bio-liquid-biopsy-pipeline/SKILL.md +311 -0
  187. package/data/skills/bio-local-blast/SKILL.md +350 -0
  188. package/data/skills/bio-long-read-sequencing-clair3-variants/SKILL.md +252 -0
  189. package/data/skills/bio-long-read-sequencing-isoseq-analysis/SKILL.md +334 -0
  190. package/data/skills/bio-long-read-sequencing-nanopore-methylation/SKILL.md +110 -0
  191. package/data/skills/bio-longitudinal-monitoring/SKILL.md +271 -0
  192. package/data/skills/bio-longread-alignment/SKILL.md +193 -0
  193. package/data/skills/bio-longread-medaka/SKILL.md +176 -0
  194. package/data/skills/bio-longread-qc/SKILL.md +224 -0
  195. package/data/skills/bio-longread-structural-variants/SKILL.md +201 -0
  196. package/data/skills/bio-machine-learning-atlas-mapping/SKILL.md +139 -0
  197. package/data/skills/bio-machine-learning-biomarker-discovery/SKILL.md +157 -0
  198. package/data/skills/bio-machine-learning-model-validation/SKILL.md +148 -0
  199. package/data/skills/bio-machine-learning-omics-classifiers/SKILL.md +146 -0
  200. package/data/skills/bio-machine-learning-prediction-explanation/SKILL.md +162 -0
  201. package/data/skills/bio-machine-learning-survival-analysis/SKILL.md +176 -0
  202. package/data/skills/bio-metabolomics-lipidomics/SKILL.md +265 -0
  203. package/data/skills/bio-metabolomics-metabolite-annotation/SKILL.md +241 -0
  204. package/data/skills/bio-metabolomics-msdial-preprocessing/SKILL.md +308 -0
  205. package/data/skills/bio-metabolomics-normalization-qc/SKILL.md +283 -0
  206. package/data/skills/bio-metabolomics-pathway-mapping/SKILL.md +237 -0
  207. package/data/skills/bio-metabolomics-statistical-analysis/SKILL.md +276 -0
  208. package/data/skills/bio-metabolomics-targeted-analysis/SKILL.md +314 -0
  209. package/data/skills/bio-metabolomics-xcms-preprocessing/SKILL.md +268 -0
  210. package/data/skills/bio-metagenomics-abundance/SKILL.md +203 -0
  211. package/data/skills/bio-metagenomics-amr-detection/SKILL.md +293 -0
  212. package/data/skills/bio-metagenomics-functional-profiling/SKILL.md +252 -0
  213. package/data/skills/bio-metagenomics-kraken/SKILL.md +204 -0
  214. package/data/skills/bio-metagenomics-metaphlan/SKILL.md +214 -0
  215. package/data/skills/bio-metagenomics-strain-tracking/SKILL.md +292 -0
  216. package/data/skills/bio-metagenomics-visualization/SKILL.md +240 -0
  217. package/data/skills/bio-methylation-based-detection/SKILL.md +223 -0
  218. package/data/skills/bio-methylation-bismark-alignment/SKILL.md +195 -0
  219. package/data/skills/bio-methylation-calling/SKILL.md +200 -0
  220. package/data/skills/bio-methylation-dmr-detection/SKILL.md +211 -0
  221. package/data/skills/bio-methylation-methylkit/SKILL.md +219 -0
  222. package/data/skills/bio-microbiome-amplicon-processing/SKILL.md +137 -0
  223. package/data/skills/bio-microbiome-differential-abundance/SKILL.md +147 -0
  224. package/data/skills/bio-microbiome-diversity-analysis/SKILL.md +188 -0
  225. package/data/skills/bio-microbiome-functional-prediction/SKILL.md +153 -0
  226. package/data/skills/bio-microbiome-qiime2-workflow/SKILL.md +219 -0
  227. package/data/skills/bio-microbiome-taxonomy-assignment/SKILL.md +168 -0
  228. package/data/skills/bio-molecular-descriptors/SKILL.md +200 -0
  229. package/data/skills/bio-molecular-io/SKILL.md +188 -0
  230. package/data/skills/bio-motif-search/SKILL.md +354 -0
  231. package/data/skills/bio-multi-omics-data-harmonization/SKILL.md +228 -0
  232. package/data/skills/bio-multi-omics-mixomics-analysis/SKILL.md +221 -0
  233. package/data/skills/bio-multi-omics-mofa-integration/SKILL.md +225 -0
  234. package/data/skills/bio-multi-omics-similarity-network/SKILL.md +235 -0
  235. package/data/skills/bio-orchestrator/SKILL.md +133 -0
  236. package/data/skills/bio-paired-end-fastq/SKILL.md +334 -0
  237. package/data/skills/bio-pathway-enrichment-visualization/SKILL.md +278 -0
  238. package/data/skills/bio-pathway-go-enrichment/SKILL.md +218 -0
  239. package/data/skills/bio-pathway-gsea/SKILL.md +227 -0
  240. package/data/skills/bio-pathway-kegg-pathways/SKILL.md +234 -0
  241. package/data/skills/bio-pathway-reactome/SKILL.md +215 -0
  242. package/data/skills/bio-pathway-wikipathways/SKILL.md +255 -0
  243. package/data/skills/bio-pdb-geometric-analysis/SKILL.md +475 -0
  244. package/data/skills/bio-pdb-structure-io/SKILL.md +296 -0
  245. package/data/skills/bio-pdb-structure-modification/SKILL.md +448 -0
  246. package/data/skills/bio-pdb-structure-navigation/SKILL.md +335 -0
  247. package/data/skills/bio-phasing-imputation-genotype-imputation/SKILL.md +201 -0
  248. package/data/skills/bio-phasing-imputation-haplotype-phasing/SKILL.md +190 -0
  249. package/data/skills/bio-phasing-imputation-imputation-qc/SKILL.md +265 -0
  250. package/data/skills/bio-phasing-imputation-reference-panels/SKILL.md +203 -0
  251. package/data/skills/bio-phylo-distance-calculations/SKILL.md +307 -0
  252. package/data/skills/bio-phylo-modern-tree-inference/SKILL.md +274 -0
  253. package/data/skills/bio-phylo-tree-io/SKILL.md +252 -0
  254. package/data/skills/bio-phylo-tree-manipulation/SKILL.md +375 -0
  255. package/data/skills/bio-phylo-tree-visualization/SKILL.md +275 -0
  256. package/data/skills/bio-pileup-generation/SKILL.md +314 -0
  257. package/data/skills/bio-population-genetics-association-testing/SKILL.md +293 -0
  258. package/data/skills/bio-population-genetics-linkage-disequilibrium/SKILL.md +260 -0
  259. package/data/skills/bio-population-genetics-plink-basics/SKILL.md +338 -0
  260. package/data/skills/bio-population-genetics-population-structure/SKILL.md +352 -0
  261. package/data/skills/bio-population-genetics-scikit-allel-analysis/SKILL.md +306 -0
  262. package/data/skills/bio-population-genetics-selection-statistics/SKILL.md +251 -0
  263. package/data/skills/bio-primer-design-primer-basics/SKILL.md +289 -0
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+ ---
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+ name: slurm-job-script-generator
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+ description: Generate SLURM `sbatch` job scripts and sanity-check HPC resource requests (nodes, tasks, CPUs, memory, GPUs) for simulation runs. Use when preparing submission scripts, deciding MPI vs MPI+OpenMP layouts, standardizing `#SBATCH` directives, or debugging job launch configuration (`sbatch`/`srun`).
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+ allowed-tools: Read, Bash, Write, Grep, Glob
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+ ---
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+
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+ # SLURM Job Script Generator
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+
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+ ## Goal
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+
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+ Generate a correct, copy-pasteable SLURM job script (`.sbatch`) for running a simulation, and surface common configuration mistakes (bad walltime format, conflicting memory flags, oversubscription hints).
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+
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+ ## Requirements
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+
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+ - Python 3.8+
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+ - No external dependencies (Python standard library only)
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+ - Works on Linux, macOS, and Windows (script generation only)
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+
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+ ## Inputs to Gather
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+
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+ | Input | Description | Example |
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+ |-------|-------------|---------|
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+ | Job name | Short identifier for the job | `phasefield-strong-scaling` |
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+ | Walltime | SLURM time limit | `00:30:00` |
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+ | Partition | Cluster partition/queue (if required) | `compute` |
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+ | Account | Project/account (if required) | `matsim` |
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+ | Nodes | Number of nodes to allocate | `2` |
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+ | MPI tasks | Total tasks, or tasks per node | `128` or `64` per node |
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+ | Threads | CPUs per task (OpenMP threads) | `2` |
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+ | Memory | `--mem` or `--mem-per-cpu` (cluster policy dependent) | `32G` |
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+ | GPUs | GPUs per node (optional) | `4` |
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+ | Working directory | Where the run should execute | `$SLURM_SUBMIT_DIR` |
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+ | Modules | Environment modules to load (optional) | `gcc/12`, `openmpi/4.1` |
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+ | Run command | The command to launch under SLURM | `./simulate --config cfg.json` |
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+
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+ ## Decision Guidance
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+
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+ ### MPI vs MPI+OpenMP layout
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+
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+ ```
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+ Does the code use OpenMP / threading?
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+ ├── NO → Use MPI-only: cpus-per-task=1
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+ └── YES → Use hybrid: set cpus-per-task = threads per MPI rank
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+ and export OMP_NUM_THREADS = cpus-per-task
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+ ```
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+
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+ **Rule of thumb:** if you see diminishing strong-scaling efficiency at high MPI ranks, try fewer ranks with more threads per rank (and measure).
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+
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+ ### Memory flag selection
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+
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+ - Use **either** `--mem` (per node) **or** `--mem-per-cpu` (per CPU), not both.
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+ - Follow your cluster’s documentation; some sites enforce one style.
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+ - SLURM `--mem` units are integer MB by default, or an integer with suffix `K/M/G/T` (and `--mem=0` commonly means “all memory on node”).
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+
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+ ## Script Outputs (JSON Fields)
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+
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+ | Script | Key Outputs |
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+ |--------|-------------|
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+ | `scripts/slurm_script_generator.py` | `results.script`, `results.directives`, `results.derived`, `results.warnings` |
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+
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+ ## Workflow
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+
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+ 1. Gather cluster constraints (partition/account, GPU policy, memory policy).
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+ 2. Choose a process layout (MPI-only vs hybrid MPI+OpenMP).
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+ 3. Generate the script with `slurm_script_generator.py`.
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+ 4. Inspect warnings (conflicts, suspicious layouts).
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+ 5. Save the generated script as `job.sbatch`.
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+ 6. Submit with `sbatch job.sbatch` and monitor with `squeue`.
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+
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+ ## CLI Examples
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+
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+ ```bash
73
+ # Preview a job script (prints to stdout)
74
+ python3 skills/hpc-deployment/slurm-job-script-generator/scripts/slurm_script_generator.py \
75
+ --job-name phasefield \
76
+ --time 00:10:00 \
77
+ --partition compute \
78
+ --nodes 1 \
79
+ --ntasks-per-node 8 \
80
+ --cpus-per-task 2 \
81
+ --mem 16G \
82
+ --module gcc/12 \
83
+ --module openmpi/4.1 \
84
+ -- \
85
+ ./simulate --config config.json
86
+
87
+ # Write to a file and also emit structured JSON
88
+ python3 skills/hpc-deployment/slurm-job-script-generator/scripts/slurm_script_generator.py \
89
+ --job-name phasefield \
90
+ --time 00:10:00 \
91
+ --nodes 1 \
92
+ --ntasks 16 \
93
+ --cpus-per-task 1 \
94
+ --out job.sbatch \
95
+ --json \
96
+ -- \
97
+ /bin/echo hello
98
+ ```
99
+
100
+ ## Conversational Workflow Example
101
+
102
+ **User**: I need an `sbatch` script for my MPI simulation. I want 2 nodes, 64 ranks per node, 2 OpenMP threads per rank, and 2 hours.
103
+
104
+ **Agent workflow**:
105
+ 1. Confirm partition/account and whether GPUs are needed.
106
+ 2. Generate a hybrid job script:
107
+ ```bash
108
+ python3 scripts/slurm_script_generator.py --job-name run --time 02:00:00 --nodes 2 --ntasks-per-node 64 --cpus-per-task 2 -- -- ./simulate
109
+ ```
110
+ 3. Explain the mapping:
111
+ - Total ranks = 128
112
+ - Threads per rank = 2 (`OMP_NUM_THREADS=2`)
113
+ 4. If the user provides node core counts, sanity-check oversubscription using `--cores-per-node`.
114
+
115
+ ## Error Handling
116
+
117
+ | Error | Cause | Resolution |
118
+ |-------|-------|------------|
119
+ | `time must be HH:MM:SS or D-HH:MM:SS` | Bad walltime format | Use `00:30:00` or `1-00:00:00` |
120
+ | `nodes must be positive` | Non-positive nodes | Provide `--nodes >= 1` |
121
+ | `Provide either --mem or --mem-per-cpu, not both` | Conflicting memory directives | Choose one memory style |
122
+ | `Provide a run command after --` | Missing launch command | Add `-- ./simulate ...` |
123
+
124
+ ## Limitations
125
+
126
+ - Does not query cluster hardware or site policies; it can only validate internal consistency.
127
+ - SLURM installations vary (GPU directives, QoS rules, partitions). Adjust directives for your site.
128
+
129
+ ## References
130
+
131
+ - `references/slurm_directives.md` - Common `#SBATCH` directives and mapping tips
132
+
133
+ ## Version History
134
+
135
+ - **v1.0.0** (2026-02-25): Initial SLURM job script generator
@@ -0,0 +1,165 @@
1
+ ---
2
+ name: solublempnn
3
+ description: >
4
+ Solubility-optimized protein sequence design using SolubleMPNN.
5
+ Use this skill when: (1) Designing for E. coli expression,
6
+ (2) Optimizing solubility of designed proteins,
7
+ (3) Reducing aggregation propensity,
8
+ (4) Need high-yield expression,
9
+ (5) Avoiding inclusion body formation.
10
+
11
+ For standard design, use proteinmpnn.
12
+ For ligand-aware design, use ligandmpnn.
13
+ license: MIT
14
+ category: design-tools
15
+ tags: [sequence-design, inverse-folding, solubility]
16
+ biomodals_script: modal_ligandmpnn.py
17
+ ---
18
+
19
+ # SolubleMPNN Solubility-Optimized Design
20
+
21
+ ## Prerequisites
22
+
23
+ | Requirement | Minimum | Recommended |
24
+ |-------------|---------|-------------|
25
+ | Python | 3.8+ | 3.10 |
26
+ | CUDA | 11.0+ | 11.7+ |
27
+ | GPU VRAM | 8GB | 16GB (T4) |
28
+ | RAM | 8GB | 16GB |
29
+
30
+ ## How to run
31
+
32
+ > **First time?** See [Installation Guide](../../docs/installation.md) to set up Modal and biomodals.
33
+
34
+ ### Option 1: Modal (recommended)
35
+ SolubleMPNN uses the ProteinMPNN Modal wrapper with soluble model:
36
+ ```bash
37
+ cd biomodals
38
+ modal run modal_proteinmpnn.py \
39
+ --pdb-path backbone.pdb \
40
+ --num-seq-per-target 16 \
41
+ --sampling-temp 0.1 \
42
+ --model-name v_48_020
43
+ ```
44
+
45
+ **GPU**: T4 (16GB) | **Timeout**: 600s default
46
+
47
+ ### Option 2: Local installation
48
+ ```bash
49
+ git clone https://github.com/dauparas/ProteinMPNN.git
50
+ cd ProteinMPNN
51
+
52
+ # Use soluble model weights
53
+ python protein_mpnn_run.py \
54
+ --pdb_path backbone.pdb \
55
+ --out_folder output/ \
56
+ --num_seq_per_target 16 \
57
+ --sampling_temp "0.1" \
58
+ --model_name "v_48_020" # Soluble model
59
+ ```
60
+
61
+ ## Key parameters
62
+
63
+ | Parameter | Default | Range | Description |
64
+ |-----------|---------|-------|-------------|
65
+ | `--pdb_path` | required | path | Input structure |
66
+ | `--num_seq_per_target` | 1 | 1-1000 | Sequences per structure |
67
+ | `--sampling_temp` | "0.1" | "0.0001-1.0" | Temperature (string!) |
68
+ | `--model_name` | v_48_020 | string | Soluble model variant |
69
+
70
+ ## Model Variants
71
+
72
+ | Model | Description | Use Case |
73
+ |-------|-------------|----------|
74
+ | v_48_002 | Standard | General design |
75
+ | v_48_020 | Soluble-trained | E. coli expression |
76
+ | v_48_030 | High solubility | Difficult targets |
77
+
78
+ ## Output format
79
+
80
+ ```
81
+ output/
82
+ ├── seqs/backbone.fa
83
+ └── backbone_pdb/backbone_0001.pdb
84
+ ```
85
+
86
+ ## Sample output
87
+
88
+ ### Successful run
89
+ ```
90
+ $ python protein_mpnn_run.py --pdb_path backbone.pdb --model_name v_48_020 --num_seq_per_target 8
91
+ Loading soluble model weights (v_48_020)...
92
+ Designing sequences for backbone.pdb
93
+ Generated 8 sequences in 2.1 seconds
94
+
95
+ output/seqs/backbone.fa:
96
+ >backbone_0001, score=1.31, global_score=1.24, seq_recovery=0.78
97
+ MKTAYIAKQRQISFVKSHFSRQLE...
98
+ >backbone_0002, score=1.28, global_score=1.21, seq_recovery=0.81
99
+ MKTAYIAKQRQISFVKSQFSRQLD...
100
+ ```
101
+
102
+ **What good output looks like:**
103
+ - Score: 1.0-2.0 (lower = more confident)
104
+ - Reduced hydrophobic patches compared to standard MPNN
105
+ - Improved charge distribution
106
+
107
+ ## Decision tree
108
+
109
+ ```
110
+ Should I use SolubleMPNN?
111
+
112
+ ├─ What expression system?
113
+ │ ├─ E. coli → SolubleMPNN ✓
114
+ │ ├─ Mammalian → ProteinMPNN (PTMs matter more)
115
+ │ └─ Yeast → Either
116
+
117
+ ├─ History of expression problems?
118
+ │ ├─ Yes, aggregation → SolubleMPNN ✓
119
+ │ ├─ Yes, low yield → SolubleMPNN ✓
120
+ │ └─ No → ProteinMPNN is fine
121
+
122
+ ├─ What's in the binding site?
123
+ │ ├─ Small molecule / ligand → Use LigandMPNN
124
+ │ └─ Nothing / protein only → SolubleMPNN ✓
125
+
126
+ └─ Need highest solubility?
127
+ ├─ Yes → Use v_48_030 model
128
+ └─ Standard → Use v_48_020 model
129
+ ```
130
+
131
+ ## Typical performance
132
+
133
+ | Campaign Size | Time (T4) | Cost (Modal) | Notes |
134
+ |---------------|-----------|--------------|-------|
135
+ | 100 backbones × 8 seq | 15-20 min | ~$2 | Standard |
136
+ | 500 backbones × 8 seq | 1-1.5h | ~$8 | Large campaign |
137
+
138
+ **Expected improvement**: +15-30% solubility score vs standard ProteinMPNN.
139
+
140
+ ---
141
+
142
+ ## Verify
143
+
144
+ ```bash
145
+ grep -c "^>" output/seqs/*.fa # Should match backbone_count × num_seq_per_target
146
+ ```
147
+
148
+ ---
149
+
150
+ ## Troubleshooting
151
+
152
+ **Still insoluble**: Try v_48_030 (higher solubility bias)
153
+ **Low diversity**: Increase temperature to 0.2
154
+ **Poor folding**: Use standard ProteinMPNN and optimize later
155
+
156
+ ### Error interpretation
157
+
158
+ | Error | Cause | Fix |
159
+ |-------|-------|-----|
160
+ | `RuntimeError: CUDA out of memory` | Long protein or large batch | Reduce batch_size |
161
+ | `FileNotFoundError: v_48_020` | Missing model weights | Download soluble weights |
162
+
163
+ ---
164
+
165
+ **Next**: Structure prediction for validation → `protein-qc` for filtering.
@@ -0,0 +1,56 @@
1
+ <!--
2
+ # COPYRIGHT NOTICE
3
+ # This file is part of the "Universal Biomedical Skills" project.
4
+ # Copyright (c) 2026 MD BABU MIA, PhD <md.babu.mia@mssm.edu>
5
+ # All Rights Reserved.
6
+ #
7
+ # This code is proprietary and confidential.
8
+ # Unauthorized copying of this file, via any medium is strictly prohibited.
9
+ #
10
+ # Provenance: Authenticated by MD BABU MIA
11
+
12
+ -->
13
+
14
+ ---
15
+ name: 'spatial-agent'
16
+ description: 'An agent that interprets spatial transcriptomics data to propose mechanistic hypotheses and analyze tissue organization.'
17
+ measurable_outcome: Execute skill workflow successfully with valid output within 15 minutes.
18
+ allowed-tools:
19
+ - read_file
20
+ - run_shell_command
21
+ ---
22
+
23
+
24
+ # SpatialAgent
25
+
26
+ SpatialAgent focuses on the biological interpretation of spatial transcriptomics data, specifically aiming to propose mechanistic hypotheses about tissue organization and cellular interactions.
27
+
28
+ ## When to Use This Skill
29
+
30
+ * **Mechanistic Interpretation**: When you have clusters or spatial domains and need to understand *why* they are organized that way.
31
+ * **Cell-Cell Interaction**: To predict and interpret ligand-receptor interactions in a spatial context.
32
+ * **Hypothesis Generation**: To propose biological mechanisms driving the observed spatial heterogeneity.
33
+
34
+ ## Core Capabilities
35
+
36
+ 1. **Tissue Organization Analysis**: Decodes the structural logic of tissues (e.g., layers, niches).
37
+ 2. **Cellular Interaction Prediction**: Identifies potential signaling pathways active at domain boundaries.
38
+ 3. **Hypothesis Proposal**: Generates testable biological hypotheses based on spatial data.
39
+
40
+ ## Workflow
41
+
42
+ 1. **Input Analysis**: Accepts processed ST data (e.g., cluster annotations, DEG lists per spatial domain).
43
+ 2. **Knowledge Retrieval**: Queries biological knowledge bases regarding the observed cell types and genes.
44
+ 3. **Synthesis**: Constructs a narrative explaining the spatial arrangement (e.g., "The proximity of fibroblasts and tumor cells suggests a desmoplastic reaction mediated by TGF-beta signaling...").
45
+
46
+ ## Example Usage
47
+
48
+ **User**: "Why are the macrophages located at the boundary of the tumor core in this sample?"
49
+
50
+ **Agent Action**:
51
+ 1. Analyzes the gene expression of macrophages and adjacent tumor cells.
52
+ 2. Checks for ligand-receptor pairs (e.g., CSF1-CSF1R).
53
+ 3. Proposes: "Macrophages are likely recruited by CSF1 secreted by the tumor cells, forming an immunosuppressive barrier..."
54
+
55
+
56
+ <!-- AUTHOR_SIGNATURE: 9a7f3c2e-MD-BABU-MIA-2026-MSSM-SECURE -->
@@ -0,0 +1,163 @@
1
+ <!--
2
+ # COPYRIGHT NOTICE
3
+ # This file is part of the "Universal Biomedical Skills" project.
4
+ # Copyright (c) 2026 MD BABU MIA, PhD <md.babu.mia@mssm.edu>
5
+ # All Rights Reserved.
6
+ #
7
+ # This code is proprietary and confidential.
8
+ # Unauthorized copying of this file, via any medium is strictly prohibited.
9
+ #
10
+ # Provenance: Authenticated by MD BABU MIA
11
+
12
+ -->
13
+
14
+ ---
15
+ name: 'spatial-epigenomics-agent'
16
+ description: 'AI-powered spatial epigenomics analysis combining chromatin accessibility, histone modifications, and DNA methylation with spatial coordinates for tissue architecture mapping.'
17
+ measurable_outcome: Execute skill workflow successfully with valid output within 15 minutes.
18
+ allowed-tools:
19
+ - read_file
20
+ - run_shell_command
21
+ ---
22
+
23
+
24
+ # Spatial Epigenomics Agent
25
+
26
+ The **Spatial Epigenomics Agent** analyzes spatial epigenomic data combining chromatin accessibility (ATAC-seq), histone modifications (CUT&Tag), and DNA methylation with spatial coordinates. It maps regulatory landscapes across tissue architecture to understand cell-state regulation in spatial context.
27
+
28
+ ## When to Use This Skill
29
+
30
+ * When analyzing spatial ATAC-seq data (Slide-seq + ATAC, DBiT-seq).
31
+ * To map chromatin accessibility across tissue microenvironments.
32
+ * For spatial profiling of histone modifications (H3K27ac, H3K4me3, H3K27me3).
33
+ * When integrating spatial epigenomics with spatial transcriptomics.
34
+ * To identify spatially-variable regulatory elements and enhancers.
35
+
36
+ ## Core Capabilities
37
+
38
+ 1. **Spatial ATAC Analysis**: Process spatial chromatin accessibility data to identify open chromatin regions with spatial coordinates.
39
+
40
+ 2. **Spatial CUT&Tag**: Analyze spatially-resolved histone modification profiles (H3K27ac for enhancers, H3K4me3 for promoters).
41
+
42
+ 3. **Spatial Methylation**: Map DNA methylation patterns across tissue sections using spatial bisulfite methods.
43
+
44
+ 4. **Multi-Modal Integration**: Combine spatial epigenomics with spatial transcriptomics for regulatory network inference.
45
+
46
+ 5. **Regulatory Element Mapping**: Identify spatially-variable enhancers, promoters, and silencers.
47
+
48
+ 6. **3D Chromatin Organization**: Integrate with MERFISH/seqFISH+ for spatial chromatin organization.
49
+
50
+ ## Technologies Supported
51
+
52
+ | Technology | Epigenetic Mark | Resolution | Method |
53
+ |------------|-----------------|------------|--------|
54
+ | Spatial-ATAC-seq | Open chromatin | ~10-50μm | Microfluidic barcoding |
55
+ | DBiT-seq | ATAC + expression | ~10μm | Deterministic barcoding |
56
+ | Spatial-CUT&Tag | Histone marks | ~50μm | Cleavage under targets |
57
+ | Spatial-MethylSeq | DNA methylation | Variable | Bisulfite conversion |
58
+ | MERFISH + epigenetics | 3D organization | Single-cell | Imaging-based |
59
+
60
+ ## Workflow
61
+
62
+ 1. **Input**: Spatial epigenomics data (BAM files + spatial coordinates) or processed peak matrices.
63
+
64
+ 2. **Preprocessing**: Alignment, deduplication, peak calling with spatial awareness.
65
+
66
+ 3. **Spatial Clustering**: Identify spatial domains with similar epigenetic profiles.
67
+
68
+ 4. **Peak Annotation**: Map peaks to genomic features (promoters, enhancers, gene bodies).
69
+
70
+ 5. **Motif Analysis**: Identify transcription factor binding motifs in spatially-variable peaks.
71
+
72
+ 6. **Integration**: Combine with expression data for regulatory inference.
73
+
74
+ 7. **Output**: Spatial peak maps, regulatory networks, domain annotations.
75
+
76
+ ## Example Usage
77
+
78
+ **User**: "Analyze this spatial ATAC-seq dataset to identify spatially-variable regulatory elements in the tumor microenvironment."
79
+
80
+ **Agent Action**:
81
+ ```bash
82
+ python3 Skills/Genomics/Spatial_Epigenomics_Agent/spatial_epigenomics.py \
83
+ --input spatial_atac_fragments.tsv.gz \
84
+ --coordinates spot_coordinates.csv \
85
+ --peaks macs2_peaks.bed \
86
+ --spatial_variable true \
87
+ --motif_db jaspar_2024 \
88
+ --integrate_with spatial_rna.h5ad \
89
+ --output spatial_epi_results/
90
+ ```
91
+
92
+ ## Analysis Modules
93
+
94
+ **1. Spatial Peak Calling**
95
+ - Adapted MACS2/Genrich for spatial data
96
+ - Spatial autocorrelation of accessibility
97
+ - Pseudo-bulk and single-spot approaches
98
+
99
+ **2. Spatial Domain Detection**
100
+ - Graph-based clustering (Leiden, Louvain)
101
+ - Hidden Markov Random Fields
102
+ - Deep learning segmentation
103
+
104
+ **3. Transcription Factor Analysis**
105
+ - ChromVAR for TF activity scores
106
+ - SCENIC+ for spatial regulon inference
107
+ - Motif enrichment in spatial domains
108
+
109
+ **4. Enhancer-Gene Linking**
110
+ - Activity-by-contact (ABC) model adaptation
111
+ - Spatial correlation of enhancer accessibility with gene expression
112
+ - Chromatin loop integration
113
+
114
+ ## Integration with Spatial Transcriptomics
115
+
116
+ ```
117
+ Spatial ATAC-seq Spatial RNA-seq
118
+ | |
119
+ v v
120
+ Peak Matrix Expression Matrix
121
+ | |
122
+ +--------> Integration <-+
123
+ |
124
+ v
125
+ Regulatory Network
126
+ (Enhancer -> TF -> Gene)
127
+ ```
128
+
129
+ ## Key Metrics
130
+
131
+ | Metric | Description | Typical Range |
132
+ |--------|-------------|---------------|
133
+ | TSS Enrichment | Signal at transcription start sites | >4 good quality |
134
+ | FRiP | Fraction reads in peaks | >30% |
135
+ | Spatial autocorrelation | Moran's I for epigenetic features | 0.2-0.8 |
136
+ | Spots per gene | Detection sensitivity | 100-500 |
137
+
138
+ ## Prerequisites
139
+
140
+ * Python 3.10+
141
+ * SnapATAC2, ArchR for ATAC analysis
142
+ * Squidpy, Scanpy for spatial analysis
143
+ * MACS2/Genrich for peak calling
144
+
145
+ ## Related Skills
146
+
147
+ * Spatial_Transcriptomics - For gene expression spatial mapping
148
+ * Epigenomics_MethylGPT_Agent - For methylation analysis
149
+ * Single_Cell - For non-spatial epigenomics
150
+
151
+ ## Applications
152
+
153
+ 1. **Tumor Microenvironment**: Map regulatory programs across tumor-stroma boundary
154
+ 2. **Development**: Track enhancer activation during tissue morphogenesis
155
+ 3. **Neuroanatomy**: Brain region-specific regulatory landscapes
156
+ 4. **Disease Mechanisms**: Spatial dysregulation in pathology
157
+
158
+ ## Author
159
+
160
+ AI Group - Biomedical AI Platform
161
+
162
+
163
+ <!-- AUTHOR_SIGNATURE: 9a7f3c2e-MD-BABU-MIA-2026-MSSM-SECURE -->
@@ -0,0 +1,75 @@
1
+ <!--
2
+ # COPYRIGHT NOTICE
3
+ # This file is part of the "Universal Biomedical Skills" project.
4
+ # Copyright (c) 2026 MD BABU MIA, PhD <md.babu.mia@mssm.edu>
5
+ # All Rights Reserved.
6
+ #
7
+ # This code is proprietary and confidential.
8
+ # Unauthorized copying of this file, via any medium is strictly prohibited.
9
+ #
10
+ # Provenance: Authenticated by MD BABU MIA
11
+
12
+ -->
13
+
14
+ ---
15
+ name: spatial-transcriptomics-agent
16
+ description: Spatial analyst
17
+ keywords:
18
+ - spatial
19
+ - h5ad
20
+ - H&E
21
+ - clustering
22
+ - SVG
23
+ measurable_outcome: For each sample, deliver ≥1 spatial domain map + SVG list + narrative interpretation within 30 minutes.
24
+ license: MIT
25
+ metadata:
26
+ author: LiuLab
27
+ version: "1.0.0"
28
+ compatibility:
29
+ - system: Python 3.9+
30
+ allowed-tools:
31
+ - run_shell_command
32
+ - read_file
33
+ - web_fetch
34
+ ---
35
+
36
+ # Spatial Transcriptomics Agent
37
+
38
+ Run STAgent to align histology images with expression matrices, perform clustering/SVG detection, and generate literature-backed spatial reports.
39
+
40
+ ## When to Use
41
+ - Analysis of Visium/Xenium or similar ST datasets.
42
+ - Visual reasoning over spatial plots, H&E images, or cluster maps.
43
+ - Automatically generating Scanpy/Squidpy code for new ST workflows.
44
+ - Hypothesis generation about spatial gene expression patterns.
45
+
46
+ ## Core Capabilities
47
+ 1. **Dynamic code generation:** Create/execute Python scripts for QC, clustering, SVG detection.
48
+ 2. **Visual reasoning:** Interpret spatial plots to identify tissue domains and cell neighborhoods.
49
+ 3. **Literature retrieval:** Pull references that contextualize findings.
50
+ 4. **Report generation:** Deliver publication-style writeups with plots and SVG tables.
51
+
52
+ ## Workflow
53
+ 1. **Env setup:** `conda env create -f environment.yml && conda activate STAgent`.
54
+ 2. **Data prep:** Supply `expression_path` (`.h5ad`/Spaceranger) + `image_path` (H&E/IF) and metadata.
55
+ 3. **Task selection:** Choose tasks such as `cluster`, `find_svg`, `annotate_domains`, or composite instructions; run `python repo/src/main.py --data_path ... --task "..."`.
56
+ 4. **Execute & interpret:** Let STAgent generate scripts, run analyses, and interpret results with literature references.
57
+ 5. **Package outputs:** Save UMAP/spatial plots, SVG tables, QC details, and summary markdown.
58
+
59
+ ## Example Usage
60
+ ```text
61
+ User: "Analyze this breast cancer ST dataset, find immune infiltrates."
62
+ Agent: loads data, runs `sqidpy.gr.spatial_neighbors`, computes Leiden clusters, plots marker genes (CD3D, CD19), and summarizes which clusters map to tumor core vs. stromal/immune zones.
63
+ ```
64
+
65
+ ## Guardrails
66
+ - Document coordinate systems and any scaling between imaging and expression coordinates.
67
+ - Avoid definitive cell-type labels without supporting markers.
68
+ - Capture QC parameters for reproducibility.
69
+
70
+ ## References
71
+ - Source repo: https://github.com/LiuLab-Bioelectronics-Harvard/STAgent
72
+ - See local `README.md` for detailed instructions.
73
+
74
+
75
+ <!-- AUTHOR_SIGNATURE: 9a7f3c2e-MD-BABU-MIA-2026-MSSM-SECURE -->
@@ -0,0 +1,72 @@
1
+ <!--
2
+ # COPYRIGHT NOTICE
3
+ # This file is part of the "Universal Biomedical Skills" project.
4
+ # Copyright (c) 2026 MD BABU MIA, PhD <md.babu.mia@mssm.edu>
5
+ # All Rights Reserved.
6
+ #
7
+ # This code is proprietary and confidential.
8
+ # Unauthorized copying of this file, via any medium is strictly prohibited.
9
+ #
10
+ # Provenance: Authenticated by MD BABU MIA
11
+
12
+ -->
13
+
14
+ ---
15
+ name: spatial-transcriptomics-analysis
16
+ description: Automated analysis pipeline for Spatial Transcriptomics (Visium, Xenium) integrating histology and gene expression.
17
+ keywords:
18
+ - spatial-transcriptomics
19
+ - visium
20
+ - xenium
21
+ - scanpy
22
+ - squidpy
23
+ measurable_outcome: Process a Visium dataset, identify spatially variable genes, and generate spatial feature plots within 30 minutes.
24
+ license: MIT
25
+ metadata:
26
+ author: MD BABU MIA, PhD
27
+ version: "1.0.0"
28
+ compatibility:
29
+ - system: python 3.9+
30
+ allowed-tools:
31
+ - run_shell_command
32
+ - read_file
33
+ - write_file
34
+ ---
35
+
36
+ # Spatial Transcriptomics Skill
37
+
38
+ **Version:** 1.0.0
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+ **Author:** MD BABU MIA, PhD
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+ **Date:** February 2026
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+
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+ ## Overview
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+ This skill provides automated analysis capabilities for Spatial Transcriptomics data, specifically designed for 10x Visium and Xenium platforms. It enables the integration of histological data with gene expression profiles to uncover spatial organization of cell types.
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+
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+ ## Capabilities
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+ 1. **Data Loading:** Supports Spaceranger output (h5, images).
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+ 2. **QC & Preprocessing:** Spatial QC metrics, normalization.
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+ 3. **Spatial Variable Features:** Identification of spatially variable genes (SVGs) using Moran's I and Geary's C.
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+ 4. **Deconvolution:** Interface for cell type deconvolution (mapping scRNA-seq to spatial).
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+ 5. **Visualization:** Interactive spatial plots overlaying gene expression on tissue images.
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+
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+ ## Usage
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+ ```python
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+ from Skills.Genomics.Spatial_Transcriptomics.spatial_analyzer import SpatialAnalyzer
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+
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+ # Initialize
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+ sa = SpatialAnalyzer(data_path="./data/visium_sample1")
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+
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+ # Run Pipeline
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+ sa.load_data()
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+ sa.preprocess()
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+ sa.find_spatial_features()
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+ sa.plot_spatial("INS", save_path="./output/insulin_spatial.png")
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+ ```
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+
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+ ## Requirements
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+ * scanpy
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+ * squidpy
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+ * anndata
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+ * matplotlib
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+
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+ <!-- AUTHOR_SIGNATURE: 9a7f3c2e-MD-BABU-MIA-2026-MSSM-SECURE -->