@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.
- package/data/skills/aav-vector-design-agent/SKILL.md +198 -0
- package/data/skills/adaptyv/SKILL.md +112 -0
- package/data/skills/adhd-daily-planner/SKILL.md +271 -0
- package/data/skills/aeon/SKILL.md +372 -0
- package/data/skills/agent-browser/SKILL.md +159 -0
- package/data/skills/agentd-drug-discovery/SKILL.md +52 -0
- package/data/skills/ai-analyzer/SKILL.md +218 -0
- package/data/skills/alphafold/SKILL.md +183 -0
- package/data/skills/alphafold-database/SKILL.md +500 -0
- package/data/skills/anndata/SKILL.md +394 -0
- package/data/skills/antibody-design-agent/SKILL.md +64 -0
- package/data/skills/arboreto/SKILL.md +237 -0
- package/data/skills/armored-cart-design-agent/SKILL.md +225 -0
- package/data/skills/arxiv-search/SKILL.md +224 -0
- package/data/skills/autonomous-oncology-agent/SKILL.md +77 -0
- package/data/skills/bayesian-optimizer/SKILL.md +60 -0
- package/data/skills/benchling-integration/SKILL.md +473 -0
- package/data/skills/bgpt-paper-search/SKILL.md +81 -0
- package/data/skills/bindcraft/SKILL.md +198 -0
- package/data/skills/binder-design/SKILL.md +182 -0
- package/data/skills/binding-characterization/SKILL.md +234 -0
- package/data/skills/bindingdb-database/SKILL.md +332 -0
- package/data/skills/bio-admet-prediction/SKILL.md +224 -0
- package/data/skills/bio-alignment-files-bam-statistics/SKILL.md +340 -0
- package/data/skills/bio-alignment-filtering/SKILL.md +322 -0
- package/data/skills/bio-alignment-indexing/SKILL.md +249 -0
- package/data/skills/bio-alignment-io/SKILL.md +301 -0
- package/data/skills/bio-alignment-msa-parsing/SKILL.md +366 -0
- package/data/skills/bio-alignment-msa-statistics/SKILL.md +375 -0
- package/data/skills/bio-alignment-pairwise/SKILL.md +277 -0
- package/data/skills/bio-alignment-sorting/SKILL.md +296 -0
- package/data/skills/bio-alignment-validation/SKILL.md +374 -0
- package/data/skills/bio-atac-seq-atac-peak-calling/SKILL.md +221 -0
- package/data/skills/bio-atac-seq-atac-qc/SKILL.md +292 -0
- package/data/skills/bio-atac-seq-differential-accessibility/SKILL.md +268 -0
- package/data/skills/bio-atac-seq-footprinting/SKILL.md +256 -0
- package/data/skills/bio-atac-seq-motif-deviation/SKILL.md +319 -0
- package/data/skills/bio-atac-seq-nucleosome-positioning/SKILL.md +321 -0
- package/data/skills/bio-basecalling/SKILL.md +368 -0
- package/data/skills/bio-batch-downloads/SKILL.md +384 -0
- package/data/skills/bio-batch-processing/SKILL.md +303 -0
- package/data/skills/bio-bedgraph-handling/SKILL.md +336 -0
- package/data/skills/bio-blast-searches/SKILL.md +354 -0
- package/data/skills/bio-causal-genomics-colocalization-analysis/SKILL.md +264 -0
- package/data/skills/bio-causal-genomics-fine-mapping/SKILL.md +267 -0
- package/data/skills/bio-causal-genomics-mediation-analysis/SKILL.md +264 -0
- package/data/skills/bio-causal-genomics-mendelian-randomization/SKILL.md +221 -0
- package/data/skills/bio-causal-genomics-pleiotropy-detection/SKILL.md +292 -0
- package/data/skills/bio-cfdna-preprocessing/SKILL.md +200 -0
- package/data/skills/bio-chipseq-differential-binding/SKILL.md +262 -0
- package/data/skills/bio-chipseq-motif-analysis/SKILL.md +387 -0
- package/data/skills/bio-chipseq-peak-annotation/SKILL.md +239 -0
- package/data/skills/bio-chipseq-peak-calling/SKILL.md +277 -0
- package/data/skills/bio-chipseq-qc/SKILL.md +391 -0
- package/data/skills/bio-chipseq-super-enhancers/SKILL.md +288 -0
- package/data/skills/bio-chipseq-visualization/SKILL.md +289 -0
- package/data/skills/bio-clinical-databases-clinvar-lookup/SKILL.md +188 -0
- package/data/skills/bio-clinical-databases-dbsnp-queries/SKILL.md +171 -0
- package/data/skills/bio-clinical-databases-gnomad-frequencies/SKILL.md +205 -0
- package/data/skills/bio-clinical-databases-hla-typing/SKILL.md +248 -0
- package/data/skills/bio-clinical-databases-myvariant-queries/SKILL.md +174 -0
- package/data/skills/bio-clinical-databases-pharmacogenomics/SKILL.md +232 -0
- package/data/skills/bio-clinical-databases-polygenic-risk/SKILL.md +276 -0
- package/data/skills/bio-clinical-databases-somatic-signatures/SKILL.md +261 -0
- package/data/skills/bio-clinical-databases-tumor-mutational-burden/SKILL.md +301 -0
- package/data/skills/bio-clinical-databases-variant-prioritization/SKILL.md +225 -0
- package/data/skills/bio-clip-seq-binding-site-annotation/SKILL.md +66 -0
- package/data/skills/bio-clip-seq-clip-alignment/SKILL.md +70 -0
- package/data/skills/bio-clip-seq-clip-motif-analysis/SKILL.md +62 -0
- package/data/skills/bio-clip-seq-clip-peak-calling/SKILL.md +282 -0
- package/data/skills/bio-clip-seq-clip-preprocessing/SKILL.md +142 -0
- package/data/skills/bio-codon-usage/SKILL.md +353 -0
- package/data/skills/bio-comparative-genomics-ancestral-reconstruction/SKILL.md +312 -0
- package/data/skills/bio-comparative-genomics-hgt-detection/SKILL.md +341 -0
- package/data/skills/bio-comparative-genomics-ortholog-inference/SKILL.md +308 -0
- package/data/skills/bio-comparative-genomics-positive-selection/SKILL.md +354 -0
- package/data/skills/bio-comparative-genomics-synteny-analysis/SKILL.md +315 -0
- package/data/skills/bio-compressed-files/SKILL.md +263 -0
- package/data/skills/bio-consensus-sequences/SKILL.md +340 -0
- package/data/skills/bio-copy-number-cnv-annotation/SKILL.md +307 -0
- package/data/skills/bio-copy-number-cnv-visualization/SKILL.md +294 -0
- package/data/skills/bio-copy-number-cnvkit-analysis/SKILL.md +290 -0
- package/data/skills/bio-copy-number-gatk-cnv/SKILL.md +270 -0
- package/data/skills/bio-crispr-screens-base-editing-analysis/SKILL.md +110 -0
- package/data/skills/bio-crispr-screens-batch-correction/SKILL.md +316 -0
- package/data/skills/bio-crispr-screens-crispresso-editing/SKILL.md +205 -0
- package/data/skills/bio-crispr-screens-hit-calling/SKILL.md +264 -0
- package/data/skills/bio-crispr-screens-jacks-analysis/SKILL.md +313 -0
- package/data/skills/bio-crispr-screens-library-design/SKILL.md +417 -0
- package/data/skills/bio-crispr-screens-mageck-analysis/SKILL.md +222 -0
- package/data/skills/bio-crispr-screens-screen-qc/SKILL.md +243 -0
- package/data/skills/bio-ctdna-mutation-detection/SKILL.md +234 -0
- package/data/skills/bio-data-visualization-circos-plots/SKILL.md +405 -0
- package/data/skills/bio-data-visualization-color-palettes/SKILL.md +244 -0
- package/data/skills/bio-data-visualization-genome-browser-tracks/SKILL.md +328 -0
- package/data/skills/bio-data-visualization-genome-tracks/SKILL.md +249 -0
- package/data/skills/bio-data-visualization-ggplot2-fundamentals/SKILL.md +313 -0
- package/data/skills/bio-data-visualization-heatmaps-clustering/SKILL.md +227 -0
- package/data/skills/bio-data-visualization-interactive-visualization/SKILL.md +210 -0
- package/data/skills/bio-data-visualization-multipanel-figures/SKILL.md +274 -0
- package/data/skills/bio-data-visualization-specialized-omics-plots/SKILL.md +251 -0
- package/data/skills/bio-data-visualization-upset-plots/SKILL.md +228 -0
- package/data/skills/bio-data-visualization-volcano-customization/SKILL.md +233 -0
- package/data/skills/bio-de-deseq2-basics/SKILL.md +376 -0
- package/data/skills/bio-de-edger-basics/SKILL.md +418 -0
- package/data/skills/bio-de-results/SKILL.md +378 -0
- package/data/skills/bio-de-visualization/SKILL.md +408 -0
- package/data/skills/bio-differential-expression-batch-correction/SKILL.md +253 -0
- package/data/skills/bio-differential-expression-timeseries-de/SKILL.md +370 -0
- package/data/skills/bio-differential-splicing/SKILL.md +177 -0
- package/data/skills/bio-duplicate-handling/SKILL.md +292 -0
- package/data/skills/bio-entrez-fetch/SKILL.md +334 -0
- package/data/skills/bio-entrez-link/SKILL.md +325 -0
- package/data/skills/bio-entrez-search/SKILL.md +311 -0
- package/data/skills/bio-epidemiological-genomics-amr-surveillance/SKILL.md +233 -0
- package/data/skills/bio-epidemiological-genomics-pathogen-typing/SKILL.md +202 -0
- package/data/skills/bio-epidemiological-genomics-phylodynamics/SKILL.md +207 -0
- package/data/skills/bio-epidemiological-genomics-transmission-inference/SKILL.md +237 -0
- package/data/skills/bio-epidemiological-genomics-variant-surveillance/SKILL.md +237 -0
- package/data/skills/bio-epitranscriptomics-m6a-differential/SKILL.md +88 -0
- package/data/skills/bio-epitranscriptomics-m6a-peak-calling/SKILL.md +89 -0
- package/data/skills/bio-epitranscriptomics-m6anet-analysis/SKILL.md +101 -0
- package/data/skills/bio-epitranscriptomics-merip-preprocessing/SKILL.md +81 -0
- package/data/skills/bio-epitranscriptomics-modification-visualization/SKILL.md +98 -0
- package/data/skills/bio-experimental-design-batch-design/SKILL.md +110 -0
- package/data/skills/bio-experimental-design-multiple-testing/SKILL.md +98 -0
- package/data/skills/bio-experimental-design-power-analysis/SKILL.md +84 -0
- package/data/skills/bio-experimental-design-sample-size/SKILL.md +93 -0
- package/data/skills/bio-expression-matrix-counts-ingest/SKILL.md +220 -0
- package/data/skills/bio-expression-matrix-gene-id-mapping/SKILL.md +256 -0
- package/data/skills/bio-expression-matrix-metadata-joins/SKILL.md +271 -0
- package/data/skills/bio-expression-matrix-sparse-handling/SKILL.md +247 -0
- package/data/skills/bio-fastq-quality/SKILL.md +279 -0
- package/data/skills/bio-filter-sequences/SKILL.md +265 -0
- package/data/skills/bio-flow-cytometry-bead-normalization/SKILL.md +315 -0
- package/data/skills/bio-flow-cytometry-clustering-phenotyping/SKILL.md +237 -0
- package/data/skills/bio-flow-cytometry-compensation-transformation/SKILL.md +196 -0
- package/data/skills/bio-flow-cytometry-cytometry-qc/SKILL.md +382 -0
- package/data/skills/bio-flow-cytometry-differential-analysis/SKILL.md +217 -0
- package/data/skills/bio-flow-cytometry-doublet-detection/SKILL.md +288 -0
- package/data/skills/bio-flow-cytometry-fcs-handling/SKILL.md +221 -0
- package/data/skills/bio-flow-cytometry-gating-analysis/SKILL.md +193 -0
- package/data/skills/bio-format-conversion/SKILL.md +193 -0
- package/data/skills/bio-fragment-analysis/SKILL.md +214 -0
- package/data/skills/bio-gatk-variant-calling/SKILL.md +422 -0
- package/data/skills/bio-genome-assembly-assembly-polishing/SKILL.md +333 -0
- package/data/skills/bio-genome-assembly-assembly-qc/SKILL.md +344 -0
- package/data/skills/bio-genome-assembly-contamination-detection/SKILL.md +235 -0
- package/data/skills/bio-genome-assembly-hifi-assembly/SKILL.md +178 -0
- package/data/skills/bio-genome-assembly-long-read-assembly/SKILL.md +307 -0
- package/data/skills/bio-genome-assembly-metagenome-assembly/SKILL.md +227 -0
- package/data/skills/bio-genome-assembly-scaffolding/SKILL.md +204 -0
- package/data/skills/bio-genome-assembly-short-read-assembly/SKILL.md +319 -0
- package/data/skills/bio-genome-engineering-base-editing-design/SKILL.md +277 -0
- package/data/skills/bio-genome-engineering-grna-design/SKILL.md +221 -0
- package/data/skills/bio-genome-engineering-hdr-template-design/SKILL.md +264 -0
- package/data/skills/bio-genome-engineering-off-target-prediction/SKILL.md +232 -0
- package/data/skills/bio-genome-engineering-prime-editing-design/SKILL.md +275 -0
- package/data/skills/bio-genome-intervals-bed-file-basics/SKILL.md +357 -0
- package/data/skills/bio-genome-intervals-bigwig-tracks/SKILL.md +351 -0
- package/data/skills/bio-genome-intervals-coverage-analysis/SKILL.md +300 -0
- package/data/skills/bio-genome-intervals-gtf-gff-handling/SKILL.md +345 -0
- package/data/skills/bio-genome-intervals-interval-arithmetic/SKILL.md +485 -0
- package/data/skills/bio-genome-intervals-proximity-operations/SKILL.md +337 -0
- package/data/skills/bio-geo-data/SKILL.md +380 -0
- package/data/skills/bio-hi-c-analysis-compartment-analysis/SKILL.md +261 -0
- package/data/skills/bio-hi-c-analysis-contact-pairs/SKILL.md +278 -0
- package/data/skills/bio-hi-c-analysis-hic-data-io/SKILL.md +260 -0
- package/data/skills/bio-hi-c-analysis-hic-differential/SKILL.md +328 -0
- package/data/skills/bio-hi-c-analysis-hic-visualization/SKILL.md +297 -0
- package/data/skills/bio-hi-c-analysis-loop-calling/SKILL.md +284 -0
- package/data/skills/bio-hi-c-analysis-matrix-operations/SKILL.md +274 -0
- package/data/skills/bio-hi-c-analysis-tad-detection/SKILL.md +239 -0
- package/data/skills/bio-imaging-mass-cytometry-cell-segmentation/SKILL.md +241 -0
- package/data/skills/bio-imaging-mass-cytometry-data-preprocessing/SKILL.md +279 -0
- package/data/skills/bio-imaging-mass-cytometry-interactive-annotation/SKILL.md +304 -0
- package/data/skills/bio-imaging-mass-cytometry-phenotyping/SKILL.md +231 -0
- package/data/skills/bio-imaging-mass-cytometry-quality-metrics/SKILL.md +316 -0
- package/data/skills/bio-imaging-mass-cytometry-spatial-analysis/SKILL.md +246 -0
- package/data/skills/bio-immunoinformatics-epitope-prediction/SKILL.md +259 -0
- package/data/skills/bio-immunoinformatics-immunogenicity-scoring/SKILL.md +275 -0
- package/data/skills/bio-immunoinformatics-mhc-binding-prediction/SKILL.md +260 -0
- package/data/skills/bio-immunoinformatics-neoantigen-prediction/SKILL.md +277 -0
- package/data/skills/bio-immunoinformatics-tcr-epitope-binding/SKILL.md +257 -0
- package/data/skills/bio-isoform-switching/SKILL.md +192 -0
- package/data/skills/bio-liquid-biopsy-pipeline/SKILL.md +311 -0
- package/data/skills/bio-local-blast/SKILL.md +350 -0
- package/data/skills/bio-long-read-sequencing-clair3-variants/SKILL.md +252 -0
- package/data/skills/bio-long-read-sequencing-isoseq-analysis/SKILL.md +334 -0
- package/data/skills/bio-long-read-sequencing-nanopore-methylation/SKILL.md +110 -0
- package/data/skills/bio-longitudinal-monitoring/SKILL.md +271 -0
- package/data/skills/bio-longread-alignment/SKILL.md +193 -0
- package/data/skills/bio-longread-medaka/SKILL.md +176 -0
- package/data/skills/bio-longread-qc/SKILL.md +224 -0
- package/data/skills/bio-longread-structural-variants/SKILL.md +201 -0
- package/data/skills/bio-machine-learning-atlas-mapping/SKILL.md +139 -0
- package/data/skills/bio-machine-learning-biomarker-discovery/SKILL.md +157 -0
- package/data/skills/bio-machine-learning-model-validation/SKILL.md +148 -0
- package/data/skills/bio-machine-learning-omics-classifiers/SKILL.md +146 -0
- package/data/skills/bio-machine-learning-prediction-explanation/SKILL.md +162 -0
- package/data/skills/bio-machine-learning-survival-analysis/SKILL.md +176 -0
- package/data/skills/bio-metabolomics-lipidomics/SKILL.md +265 -0
- package/data/skills/bio-metabolomics-metabolite-annotation/SKILL.md +241 -0
- package/data/skills/bio-metabolomics-msdial-preprocessing/SKILL.md +308 -0
- package/data/skills/bio-metabolomics-normalization-qc/SKILL.md +283 -0
- package/data/skills/bio-metabolomics-pathway-mapping/SKILL.md +237 -0
- package/data/skills/bio-metabolomics-statistical-analysis/SKILL.md +276 -0
- package/data/skills/bio-metabolomics-targeted-analysis/SKILL.md +314 -0
- package/data/skills/bio-metabolomics-xcms-preprocessing/SKILL.md +268 -0
- package/data/skills/bio-metagenomics-abundance/SKILL.md +203 -0
- package/data/skills/bio-metagenomics-amr-detection/SKILL.md +293 -0
- package/data/skills/bio-metagenomics-functional-profiling/SKILL.md +252 -0
- package/data/skills/bio-metagenomics-kraken/SKILL.md +204 -0
- package/data/skills/bio-metagenomics-metaphlan/SKILL.md +214 -0
- package/data/skills/bio-metagenomics-strain-tracking/SKILL.md +292 -0
- package/data/skills/bio-metagenomics-visualization/SKILL.md +240 -0
- package/data/skills/bio-methylation-based-detection/SKILL.md +223 -0
- package/data/skills/bio-methylation-bismark-alignment/SKILL.md +195 -0
- package/data/skills/bio-methylation-calling/SKILL.md +200 -0
- package/data/skills/bio-methylation-dmr-detection/SKILL.md +211 -0
- package/data/skills/bio-methylation-methylkit/SKILL.md +219 -0
- package/data/skills/bio-microbiome-amplicon-processing/SKILL.md +137 -0
- package/data/skills/bio-microbiome-differential-abundance/SKILL.md +147 -0
- package/data/skills/bio-microbiome-diversity-analysis/SKILL.md +188 -0
- package/data/skills/bio-microbiome-functional-prediction/SKILL.md +153 -0
- package/data/skills/bio-microbiome-qiime2-workflow/SKILL.md +219 -0
- package/data/skills/bio-microbiome-taxonomy-assignment/SKILL.md +168 -0
- package/data/skills/bio-molecular-descriptors/SKILL.md +200 -0
- package/data/skills/bio-molecular-io/SKILL.md +188 -0
- package/data/skills/bio-motif-search/SKILL.md +354 -0
- package/data/skills/bio-multi-omics-data-harmonization/SKILL.md +228 -0
- package/data/skills/bio-multi-omics-mixomics-analysis/SKILL.md +221 -0
- package/data/skills/bio-multi-omics-mofa-integration/SKILL.md +225 -0
- package/data/skills/bio-multi-omics-similarity-network/SKILL.md +235 -0
- package/data/skills/bio-orchestrator/SKILL.md +133 -0
- package/data/skills/bio-paired-end-fastq/SKILL.md +334 -0
- package/data/skills/bio-pathway-enrichment-visualization/SKILL.md +278 -0
- package/data/skills/bio-pathway-go-enrichment/SKILL.md +218 -0
- package/data/skills/bio-pathway-gsea/SKILL.md +227 -0
- package/data/skills/bio-pathway-kegg-pathways/SKILL.md +234 -0
- package/data/skills/bio-pathway-reactome/SKILL.md +215 -0
- package/data/skills/bio-pathway-wikipathways/SKILL.md +255 -0
- package/data/skills/bio-pdb-geometric-analysis/SKILL.md +475 -0
- package/data/skills/bio-pdb-structure-io/SKILL.md +296 -0
- package/data/skills/bio-pdb-structure-modification/SKILL.md +448 -0
- package/data/skills/bio-pdb-structure-navigation/SKILL.md +335 -0
- package/data/skills/bio-phasing-imputation-genotype-imputation/SKILL.md +201 -0
- package/data/skills/bio-phasing-imputation-haplotype-phasing/SKILL.md +190 -0
- package/data/skills/bio-phasing-imputation-imputation-qc/SKILL.md +265 -0
- package/data/skills/bio-phasing-imputation-reference-panels/SKILL.md +203 -0
- package/data/skills/bio-phylo-distance-calculations/SKILL.md +307 -0
- package/data/skills/bio-phylo-modern-tree-inference/SKILL.md +274 -0
- package/data/skills/bio-phylo-tree-io/SKILL.md +252 -0
- package/data/skills/bio-phylo-tree-manipulation/SKILL.md +375 -0
- package/data/skills/bio-phylo-tree-visualization/SKILL.md +275 -0
- package/data/skills/bio-pileup-generation/SKILL.md +314 -0
- package/data/skills/bio-population-genetics-association-testing/SKILL.md +293 -0
- package/data/skills/bio-population-genetics-linkage-disequilibrium/SKILL.md +260 -0
- package/data/skills/bio-population-genetics-plink-basics/SKILL.md +338 -0
- package/data/skills/bio-population-genetics-population-structure/SKILL.md +352 -0
- package/data/skills/bio-population-genetics-scikit-allel-analysis/SKILL.md +306 -0
- package/data/skills/bio-population-genetics-selection-statistics/SKILL.md +251 -0
- package/data/skills/bio-primer-design-primer-basics/SKILL.md +289 -0
- package/data/skills/bio-primer-design-primer-validation/SKILL.md +344 -0
- package/data/skills/bio-primer-design-qpcr-primers/SKILL.md +273 -0
- package/data/skills/bio-proteomics-data-import/SKILL.md +122 -0
- package/data/skills/bio-proteomics-dia-analysis/SKILL.md +246 -0
- package/data/skills/bio-proteomics-differential-abundance/SKILL.md +129 -0
- package/data/skills/bio-proteomics-peptide-identification/SKILL.md +122 -0
- package/data/skills/bio-proteomics-protein-inference/SKILL.md +174 -0
- package/data/skills/bio-proteomics-proteomics-qc/SKILL.md +208 -0
- package/data/skills/bio-proteomics-ptm-analysis/SKILL.md +139 -0
- package/data/skills/bio-proteomics-quantification/SKILL.md +141 -0
- package/data/skills/bio-proteomics-spectral-libraries/SKILL.md +270 -0
- package/data/skills/bio-reaction-enumeration/SKILL.md +251 -0
- package/data/skills/bio-read-alignment-bowtie2-alignment/SKILL.md +189 -0
- package/data/skills/bio-read-alignment-bwa-alignment/SKILL.md +166 -0
- package/data/skills/bio-read-alignment-hisat2-alignment/SKILL.md +205 -0
- package/data/skills/bio-read-alignment-star-alignment/SKILL.md +204 -0
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- package/dist/bgi.js +28 -1
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---
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name: simulation-orchestrator
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description: Orchestrate multi-simulation campaigns including parameter sweeps, batch jobs, and result aggregation. Use for running parameter studies, managing simulation batches, tracking job status, combining results from multiple runs, or automating simulation workflows.
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allowed-tools: Read, Bash, Write, Grep, Glob
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---
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# Simulation Orchestrator
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## Goal
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Provide tools to manage multi-simulation campaigns: generate parameter sweeps, track job execution status, and aggregate results from completed runs.
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## Requirements
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- Python 3.10+
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- No external dependencies (uses Python standard library only)
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- Works on Linux, macOS, and Windows
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## Inputs to Gather
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Before running orchestration scripts, collect from the user:
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| Input | Description | Example |
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|-------|-------------|---------|
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| Base config | Template simulation configuration | `base_config.json` |
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| Parameter ranges | Parameters to sweep with bounds | `dt:[1e-4,1e-2],kappa:[0.1,1.0]` |
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| Sweep method | How to sample parameter space | `grid`, `lhs`, `linspace` |
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| Output directory | Where to store campaign files | `./campaign_001` |
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| Simulation command | Command to run each simulation | `python sim.py --config {config}` |
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## Decision Guidance
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### Choosing a Sweep Method
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```
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Need every combination (full factorial)?
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├── YES → Use grid (warning: exponential growth with parameters)
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└── NO → Is space-filling coverage needed?
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├── YES → Use lhs (Latin Hypercube Sampling)
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└── NO → Use linspace for uniform sampling per parameter
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```
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| Method | Best For | Sample Count |
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|--------|----------|--------------|
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| `grid` | Low dimensions (1-3), need exact corners | n^d (exponential) |
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| `linspace` | 1D sweeps, uniform spacing | n per parameter |
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| `lhs` | High dimensions, space-filling | user-specified budget |
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### Campaign Size Guidelines
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| Parameters | Grid Points Each | Total Runs | Recommendation |
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|------------|------------------|------------|----------------|
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| 1 | 10 | 10 | Grid is fine |
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| 2 | 10 | 100 | Grid acceptable |
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| 4+ | 10 | 10,000+ | Use LHS or DOE |
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## Script Outputs (JSON Fields)
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| Script | Output Fields |
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|--------|---------------|
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| `scripts/sweep_generator.py` | `configs`, `parameter_space`, `sweep_method`, `total_runs` |
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| `scripts/campaign_manager.py` | `campaign_id`, `status`, `jobs`, `progress` |
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| `scripts/job_tracker.py` | `job_id`, `status`, `start_time`, `end_time`, `exit_code` |
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| `scripts/result_aggregator.py` | `summary`, `statistics`, `best_run`, `failed_runs` |
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## Workflow
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### Step 1: Generate Parameter Sweep
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Create configurations for all parameter combinations:
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```bash
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python3 scripts/sweep_generator.py \
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--base-config base_config.json \
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--params "dt:1e-4:1e-2:5,kappa:0.1:1.0:3" \
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--method linspace \
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--output-dir ./campaign_001 \
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--json
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```
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### Step 2: Initialize Campaign
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Create campaign tracking structure:
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```bash
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python3 scripts/campaign_manager.py \
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--action init \
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--config-dir ./campaign_001 \
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--command "python sim.py --config {config}" \
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--json
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```
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### Step 3: Track Job Status
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Monitor running jobs:
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```bash
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--campaign-dir ./campaign_001 \
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--update \
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--json
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```
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### Step 4: Aggregate Results
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Combine results from completed runs:
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```bash
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--campaign-dir ./campaign_001 \
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--metric objective_value \
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--json
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```
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## CLI Examples
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```bash
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# Generate 5x3=15 runs varying dt (5 values) and kappa (3 values)
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--base-config sim.json \
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--params "dt:1e-4:1e-2:5,kappa:0.1:1.0:3" \
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--json
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--method lhs \
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--action status \
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# Get summary statistics from completed runs
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## Conversational Workflow Example
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**User**: I want to run a parameter sweep on dt and kappa for my phase-field simulation. I want to try 5 values of dt between 1e-4 and 1e-2, and 4 values of kappa between 0.1 and 1.0.
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**Agent workflow**:
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--params "dt:1e-4:1e-2:5,kappa:0.1:1.0:4" \
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--json
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```
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4. After user runs simulations, aggregate results:
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```bash
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--campaign-dir ./dt_kappa_sweep \
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--metric interface_width \
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--json
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```
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## Error Handling
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| Error | Cause | Resolution |
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| `Base config not found` | Invalid file path | Verify base config file exists |
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| `Invalid parameter format` | Malformed param string | Use format `name:min:max:count` or `name:min:max` |
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| `Output directory exists` | Would overwrite | Use `--force` or choose new directory |
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| `No completed jobs` | No results to aggregate | Wait for jobs to complete or check for failures |
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| `Metric not found` | Result files missing field | Verify metric name in result JSON |
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## Integration with Other Skills
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The simulation-orchestrator works with other simulation-workflow skills:
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```
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parameter-optimization simulation-orchestrator
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│ │
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│ DOE samples ────────────────>│ Generate configs
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│ │
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│ │ Run simulations
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│ │
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│<──────────────────────────── │ Aggregate results
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│ │
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│ Sensitivity analysis │
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│ Optimizer selection │
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```
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### Typical Combined Workflow
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1. Use `parameter-optimization/doe_generator.py` to get sample points
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2. Use `simulation-orchestrator/sweep_generator.py` to create configs
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3. Run simulations (user's responsibility)
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4. Use `simulation-orchestrator/result_aggregator.py` to collect results
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5. Use `parameter-optimization/sensitivity_summary.py` to analyze
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## Limitations
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- **Not a job scheduler**: Does not submit jobs to SLURM/PBS; generates configs and tracks status
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- **No parallel execution**: User must run simulations externally (can use GNU parallel, SLURM, etc.)
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- **File-based tracking**: Status tracked via files; no database or real-time monitoring
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- **Local filesystem**: Assumes all files accessible from local machine
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## References
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- `references/campaign_patterns.md` - Common campaign structures
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- `references/sweep_strategies.md` - Parameter sweep design guidance
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- `references/aggregation_methods.md` - Result aggregation techniques
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## Version History
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- **v1.0.0** (2024-12-24): Initial release with sweep, campaign, tracking, and aggregation
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---
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name: simulation-validator
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description: Validate simulations before, during, and after execution. Use for pre-flight checks, runtime monitoring, post-run validation, diagnosing failed simulations, checking convergence, detecting NaN/Inf, or verifying mass/energy conservation.
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allowed-tools: Read, Bash, Write, Grep, Glob
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---
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# Simulation Validator
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## Goal
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Provide a three-stage validation protocol: pre-flight checks, runtime monitoring, and post-flight validation for materials simulations.
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## Requirements
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- Python 3.8+
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- No external dependencies (uses Python standard library only)
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- Works on Linux, macOS, and Windows
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## Inputs to Gather
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Before running validation scripts, collect from the user:
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| Input | Description | Example |
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|-------|-------------|---------|
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| Config file | Simulation configuration (JSON/YAML) | `simulation.json` |
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| Log file | Runtime output log | `simulation.log` |
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| Metrics file | Post-run metrics (JSON) | `results.json` |
|
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| Required params | Parameters that must exist | `dt,dx,kappa` |
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| Valid ranges | Parameter bounds | `dt:1e-6:1e-2` |
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+
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## Decision Guidance
|
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### When to Run Each Stage
|
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|
+
|
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```
|
|
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Is simulation about to start?
|
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├── YES → Run Stage 1: preflight_checker.py
|
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│ └── BLOCK status? → Fix issues, do NOT run simulation
|
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│ └── WARN status? → Review warnings, document if accepted
|
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│ └── PASS status? → Proceed to run simulation
|
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│
|
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|
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Is simulation running?
|
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├── YES → Run Stage 2: runtime_monitor.py (periodically)
|
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│ └── Alerts? → Consider stopping, check parameters
|
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│
|
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Has simulation finished?
|
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├── YES → Run Stage 3: result_validator.py
|
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|
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│ └── Failed checks? → Do NOT use results
|
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|
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│ → Run failure_diagnoser.py
|
|
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|
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│ └── All passed? → Results are valid
|
|
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|
+
```
|
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|
+
|
|
53
|
+
### Choosing Validation Thresholds
|
|
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|
+
|
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|
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| Metric | Conservative | Standard | Relaxed |
|
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|
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|--------|--------------|----------|---------|
|
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|
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| Mass tolerance | 1e-6 | 1e-3 | 1e-2 |
|
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|
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| Residual growth | 2x | 10x | 100x |
|
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|
+
| dt reduction | 10x | 100x | 1000x |
|
|
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|
+
|
|
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|
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## Script Outputs (JSON Fields)
|
|
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|
+
|
|
63
|
+
| Script | Output Fields |
|
|
64
|
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|--------|---------------|
|
|
65
|
+
| `scripts/preflight_checker.py` | `report.status`, `report.blockers`, `report.warnings` |
|
|
66
|
+
| `scripts/runtime_monitor.py` | `alerts`, `residual_stats`, `dt_stats` |
|
|
67
|
+
| `scripts/result_validator.py` | `checks`, `confidence_score`, `failed_checks` |
|
|
68
|
+
| `scripts/failure_diagnoser.py` | `probable_causes`, `recommended_fixes` |
|
|
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|
+
|
|
70
|
+
## Three-Stage Validation Protocol
|
|
71
|
+
|
|
72
|
+
### Stage 1: Pre-flight (Before Simulation)
|
|
73
|
+
|
|
74
|
+
1. Run `scripts/preflight_checker.py --config simulation.json`
|
|
75
|
+
2. **BLOCK status**: Stop immediately, fix all blocker issues
|
|
76
|
+
3. **WARN status**: Review warnings, document accepted risks
|
|
77
|
+
4. **PASS status**: Proceed to simulation
|
|
78
|
+
|
|
79
|
+
```bash
|
|
80
|
+
python3 scripts/preflight_checker.py \
|
|
81
|
+
--config simulation.json \
|
|
82
|
+
--required dt,dx,kappa \
|
|
83
|
+
--ranges "dt:1e-6:1e-2,dx:1e-4:1e-1" \
|
|
84
|
+
--min-free-gb 1.0 \
|
|
85
|
+
--json
|
|
86
|
+
```
|
|
87
|
+
|
|
88
|
+
### Stage 2: Runtime (During Simulation)
|
|
89
|
+
|
|
90
|
+
1. Run `scripts/runtime_monitor.py --log simulation.log` periodically
|
|
91
|
+
2. Configure alert thresholds based on problem type
|
|
92
|
+
3. Stop simulation if critical alerts appear
|
|
93
|
+
|
|
94
|
+
```bash
|
|
95
|
+
python3 scripts/runtime_monitor.py \
|
|
96
|
+
--log simulation.log \
|
|
97
|
+
--residual-growth 10.0 \
|
|
98
|
+
--dt-drop 100.0 \
|
|
99
|
+
--json
|
|
100
|
+
```
|
|
101
|
+
|
|
102
|
+
### Stage 3: Post-flight (After Simulation)
|
|
103
|
+
|
|
104
|
+
1. Run `scripts/result_validator.py --metrics results.json`
|
|
105
|
+
2. **All checks PASS**: Results are valid for analysis
|
|
106
|
+
3. **Any check FAIL**: Do NOT use results, diagnose failure
|
|
107
|
+
|
|
108
|
+
```bash
|
|
109
|
+
python3 scripts/result_validator.py \
|
|
110
|
+
--metrics results.json \
|
|
111
|
+
--bound-min 0.0 \
|
|
112
|
+
--bound-max 1.0 \
|
|
113
|
+
--mass-tol 1e-3 \
|
|
114
|
+
--json
|
|
115
|
+
```
|
|
116
|
+
|
|
117
|
+
### Failure Diagnosis
|
|
118
|
+
|
|
119
|
+
When validation fails:
|
|
120
|
+
|
|
121
|
+
```bash
|
|
122
|
+
python3 scripts/failure_diagnoser.py --log simulation.log --json
|
|
123
|
+
```
|
|
124
|
+
|
|
125
|
+
## Conversational Workflow Example
|
|
126
|
+
|
|
127
|
+
**User**: My phase field simulation crashed after 1000 steps. Can you help me figure out why?
|
|
128
|
+
|
|
129
|
+
**Agent workflow**:
|
|
130
|
+
1. First, check the log for obvious errors:
|
|
131
|
+
```bash
|
|
132
|
+
python3 scripts/failure_diagnoser.py --log simulation.log --json
|
|
133
|
+
```
|
|
134
|
+
2. If diagnosis suggests numerical blow-up, check runtime stats:
|
|
135
|
+
```bash
|
|
136
|
+
python3 scripts/runtime_monitor.py --log simulation.log --json
|
|
137
|
+
```
|
|
138
|
+
3. Recommend fixes based on findings:
|
|
139
|
+
- If residual grew rapidly → reduce time step
|
|
140
|
+
- If dt collapsed → check stability conditions
|
|
141
|
+
- If NaN detected → check initial conditions
|
|
142
|
+
|
|
143
|
+
## Error Handling
|
|
144
|
+
|
|
145
|
+
| Error | Cause | Resolution |
|
|
146
|
+
|-------|-------|------------|
|
|
147
|
+
| `Config not found` | File path invalid | Verify config path exists |
|
|
148
|
+
| `Non-numeric value` | Parameter is not a number | Fix config file format |
|
|
149
|
+
| `out of range` | Parameter outside bounds | Adjust parameter or bounds |
|
|
150
|
+
| `Output directory not writable` | Permission issue | Check directory permissions |
|
|
151
|
+
| `Insufficient disk space` | Disk nearly full | Free up space or reduce output |
|
|
152
|
+
|
|
153
|
+
## Interpretation Guidance
|
|
154
|
+
|
|
155
|
+
### Status Meanings
|
|
156
|
+
|
|
157
|
+
| Status | Meaning | Action |
|
|
158
|
+
|--------|---------|--------|
|
|
159
|
+
| PASS | All checks passed | Proceed with confidence |
|
|
160
|
+
| WARN | Non-critical issues found | Review and document |
|
|
161
|
+
| BLOCK | Critical issues found | Must fix before proceeding |
|
|
162
|
+
|
|
163
|
+
### Confidence Score Interpretation
|
|
164
|
+
|
|
165
|
+
| Score | Meaning |
|
|
166
|
+
|-------|---------|
|
|
167
|
+
| 1.0 | All validation checks passed |
|
|
168
|
+
| 0.75+ | Most checks passed, minor issues |
|
|
169
|
+
| 0.5-0.75 | Significant issues, review carefully |
|
|
170
|
+
| < 0.5 | Major problems, do not trust results |
|
|
171
|
+
|
|
172
|
+
### Common Failure Patterns
|
|
173
|
+
|
|
174
|
+
| Pattern in Log | Likely Cause | Recommended Fix |
|
|
175
|
+
|----------------|--------------|-----------------|
|
|
176
|
+
| NaN, Inf, overflow | Numerical instability | Reduce dt, increase damping |
|
|
177
|
+
| max iterations, did not converge | Solver failure | Tune preconditioner, tolerances |
|
|
178
|
+
| out of memory | Memory exhaustion | Reduce mesh, enable out-of-core |
|
|
179
|
+
| dt reduced | Adaptive stepping triggered | May be okay if controlled |
|
|
180
|
+
|
|
181
|
+
## Limitations
|
|
182
|
+
|
|
183
|
+
- **Not a real-time monitor**: Scripts analyze logs after-the-fact
|
|
184
|
+
- **Regex-based**: Log parsing depends on pattern matching; may miss unusual formats
|
|
185
|
+
- **No automatic fixes**: Scripts diagnose but don't modify simulations
|
|
186
|
+
|
|
187
|
+
## References
|
|
188
|
+
|
|
189
|
+
- `references/validation_protocol.md` - Detailed checklist and criteria
|
|
190
|
+
- `references/log_patterns.md` - Common failure signatures and regex patterns
|
|
191
|
+
|
|
192
|
+
## Version History
|
|
193
|
+
|
|
194
|
+
- **v1.1.0** (2024-12-24): Enhanced documentation, decision guidance, Windows compatibility
|
|
195
|
+
- **v1.0.0**: Initial release with 4 validation scripts
|
|
@@ -0,0 +1,129 @@
|
|
|
1
|
+
---
|
|
2
|
+
name: single-cell-annotation-skills-with-omicverse
|
|
3
|
+
title: Single-cell annotation skills with omicverse
|
|
4
|
+
description: Guide Claude through SCSA, MetaTiME, CellVote, CellMatch, GPTAnno, and weighted KNN transfer workflows for annotating single-cell modalities.
|
|
5
|
+
---
|
|
6
|
+
|
|
7
|
+
# Single-cell annotation skills with omicverse
|
|
8
|
+
|
|
9
|
+
## Overview
|
|
10
|
+
Use this skill to reproduce and adapt the single-cell annotation playbook captured in omicverse tutorials: SCSA [`t_cellanno.ipynb`](../../../omicverse_guide/docs/Tutorials-single/t_cellanno.ipynb), MetaTiME [`t_metatime.ipynb`](../../../omicverse_guide/docs/Tutorials-single/t_metatime.ipynb), CellVote [`t_cellvote.md`](../../../omicverse_guide/docs/Tutorials-single/t_cellvote.md) & [`t_cellvote_pbmc3k.ipynb`](../../../omicverse_guide/docs/Tutorials-single/t_cellvote_pbmc3k.ipynb), CellMatch [`t_cellmatch.ipynb`](../../../omicverse_guide/docs/Tutorials-single/t_cellmatch.ipynb), GPTAnno [`t_gptanno.ipynb`](../../../omicverse_guide/docs/Tutorials-single/t_gptanno.ipynb), and label transfer [`t_anno_trans.ipynb`](../../../omicverse_guide/docs/Tutorials-single/t_anno_trans.ipynb). Each section below highlights required inputs, training/inference steps, and how to read the outputs.
|
|
11
|
+
|
|
12
|
+
## Instructions
|
|
13
|
+
1. **SCSA automated cluster annotation**
|
|
14
|
+
- *Data requirements*: PBMC3k raw counts from 10x Genomics (`pbmc3k_filtered_gene_bc_matrices.tar.gz`) or the processed `sample/rna.h5ad`. Download instructions are embedded in the notebook; unpack to `data/filtered_gene_bc_matrices/hg19/`. Ensure an SCSA SQLite database is available (e.g. `pySCSA_2024_v1_plus.db` from the Figshare/Drive links listed in the tutorial) and point `model_path` to its location.
|
|
15
|
+
- *Preprocessing & model fit*: Load with `sc.read_10x_mtx`, run QC (`ov.pp.qc`), normalization and HVG selection (`ov.pp.preprocess`), scaling (`ov.pp.scale`), PCA (`ov.pp.pca`), neighbors, Leiden clustering, and compute rank markers (`sc.tl.rank_genes_groups`). Instantiate `scsa = ov.single.pySCSA(...)` choosing `target='cellmarker'` or `'panglaodb'`, tissue scope, and thresholds (`foldchange`, `pvalue`).
|
|
16
|
+
- *Inference & interpretation*: Call `scsa.cell_anno(clustertype='leiden', result_key='scsa_celltype_cellmarker')` or `scsa.cell_auto_anno` to append predictions to `adata.obs`. Compare to manual marker-based labels via `ov.utils.embedding` or `sc.pl.dotplot`, inspect marker dictionaries (`ov.single.get_celltype_marker`), and query supported tissues with `scsa.get_model_tissue()`. Use the ROI/ROE helpers (`ov.utils.roe`, `ov.utils.plot_cellproportion`) to validate abundance trends.
|
|
17
|
+
|
|
18
|
+
2. **MetaTiME tumour microenvironment states**
|
|
19
|
+
- *Data requirements*: Batched TME AnnData with an scVI latent embedding. The tutorial uses `TiME_adata_scvi.h5ad` from Figshare (`https://figshare.com/ndownloader/files/41440050`). If starting from counts, run scVI (`scvi.model.SCVI`) first to populate `adata.obsm['X_scVI']`.
|
|
20
|
+
- *Preprocessing & model fit*: Optionally subset to non-malignant cells via `adata.obs['isTME']`. Rebuild neighbors on the latent representation (`sc.pp.neighbors(adata, use_rep="X_scVI")`) and embed with pymde (`adata.obsm['X_mde'] = ov.utils.mde(...)`). Initialise `TiME_object = ov.single.MetaTiME(adata, mode='table')` and, if finer granularity is desired, over-cluster with `TiME_object.overcluster(resolution=8, clustercol='overcluster')`.
|
|
21
|
+
- *Inference & interpretation*: Run `TiME_object.predictTiME(save_obs_name='MetaTiME')` to assign minor states and `Major_MetaTiME`. Visualise using `TiME_object.plot` or `sc.pl.embedding`. Interpret the outputs by comparing cluster-level distributions and confirming that MetaTiME and Major_MetaTiME columns align with expected niches.
|
|
22
|
+
|
|
23
|
+
3. **CellVote consensus labelling**
|
|
24
|
+
- *Data requirements*: A clustered AnnData (e.g. PBMC3k stored as `CELLVOTE_PBMC3K` env var or `data/pbmc3k.h5ad`) plus at least two precomputed annotation columns (simulated in the tutorial as `scsa_annotation`, `gpt_celltype`, `gbi_celltype`). Prepare per-cluster marker genes via `sc.tl.rank_genes_groups`.
|
|
25
|
+
- *Preprocessing & model fit*: After standard preprocessing (normalize, log1p, HVGs, PCA, neighbors, Leiden) build a marker dictionary `marker_dict = top_markers_from_rgg(adata, 'leiden', topn=10)` or via `ov.single.get_celltype_marker`. Instantiate `cv = ov.single.CellVote(adata)`.
|
|
26
|
+
- *Inference & interpretation*: Call `cv.vote(clusters_key='leiden', cluster_markers=marker_dict, celltype_keys=[...], species='human', organization='PBMC', provider='openai', model='gpt-4o-mini')`. Offline examples monkey-patch arbitration to avoid API calls; online voting requires valid credentials. Final consensus labels live in `adata.obs['CellVote_celltype']`. Compare each cluster’s majority vote with the input sources (`adata.obs[['leiden', 'scsa_annotation', ...]]`) to justify decisions.
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4. **CellMatch ontology mapping**
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- *Data requirements*: Annotated AnnData such as `pertpy.dt.haber_2017_regions()` with `adata.obs['cell_label']`. Download Cell Ontology JSON (`cl.json`) via `ov.single.download_cl(...)` or manual links, and optionally Cell Taxonomy resources (`Cell_Taxonomy_resource.txt`). Ensure access to a SentenceTransformer model (`sentence-transformers/all-MiniLM-L6-v2`, `BAAI/bge-base-en-v1.5`, etc.), downloading to `local_model_dir` if offline.
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- *Preprocessing & model fit*: Create the mapper with `ov.single.CellOntologyMapper(cl_obo_file='new_ontology/cl.json', model_name='sentence-transformers/all-MiniLM-L6-v2', local_model_dir='./my_models')`. Run `mapper.map_adata(...)` to assign ontology-derived labels/IDs, optionally enabling taxonomy matching (`use_taxonomy=True` after calling `load_cell_taxonomy_resource`).
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- *Inference & interpretation*: Explore mapping summaries (`mapper.print_mapping_summary_taxonomy`) and inspect embeddings coloured by `cell_ontology`, `cell_ontology_cl_id`, or `enhanced_cell_ontology`. Use helper queries such as `mapper.find_similar_cells('T helper cell')`, `mapper.get_cell_info(...)`, and category browsing to validate ontology coverage.
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5. **GPTAnno LLM-powered annotation**
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- *Data requirements*: The same PBMC3k dataset (raw matrix or `.h5ad`) and cluster assignments. Access to an LLM endpoint—configure `AGI_API_KEY` for OpenAI-compatible providers (`provider='openai'`, `'qwen'`, `'kimi'`, etc.), or supply a local model path for `ov.single.gptcelltype_local`.
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- *Preprocessing & model fit*: Follow the QC, normalization, HVG, scaling, PCA, neighbor, Leiden, and marker discovery steps described above (reusing outputs from the SCSA workflow). Build the marker dictionary automatically with `ov.single.get_celltype_marker(adata, clustertype='leiden', rank=True, key='rank_genes_groups', foldchange=2, topgenenumber=5)`.
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- *Inference & interpretation*: Invoke `ov.single.gptcelltype(...)` specifying tissue/species context and desired provider/model. Post-process responses to keep clean labels (`result[key].split(': ')[-1]...`) and write them to `adata.obs['gpt_celltype']`. Compare embeddings (`ov.pl.embedding(..., color=['leiden','gpt_celltype'])`) to verify cluster identities. If operating offline, call `ov.single.gptcelltype_local` with a downloaded instruction-tuned checkpoint.
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6. **Weighted KNN annotation transfer**
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- *Data requirements*: Cross-modal GLUE outputs with aligned embeddings, e.g. `data/analysis_lymph/rna-emb.h5ad` (annotated RNA) and `data/analysis_lymph/atac-emb.h5ad` (query ATAC) where both contain `obsm['X_glue']`.
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- *Preprocessing & model fit*: Load both modalities, optionally concatenate for QC plots, and compute a shared low-dimensional embedding with `ov.utils.mde`. Train a neighbour model using `ov.utils.weighted_knn_trainer(train_adata=rna, train_adata_emb='X_glue', n_neighbors=15)`.
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- *Inference & interpretation*: Transfer labels via `labels, uncert = ov.utils.weighted_knn_transfer(query_adata=atac, query_adata_emb='X_glue', label_keys='major_celltype', knn_model=knn_transformer, ref_adata_obs=rna.obs)`. Store predictions in `atac.obs['transf_celltype']` and uncertainties in `atac.obs['transf_celltype_unc']`; copy to `major_celltype` if you want consistent naming. Visualise (`ov.utils.embedding`) and inspect uncertainty to flag ambiguous cells.
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## Critical API Reference - EXACT Function Signatures
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### pySCSA - IMPORTANT: Parameter is `clustertype`, NOT `cluster`
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**CORRECT usage:**
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```python
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# Step 1: Initialize pySCSA
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scsa = ov.single.pySCSA(
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adata,
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foldchange=1.5,
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pvalue=0.01,
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species='Human',
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tissue='All',
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target='cellmarker' # or 'panglaodb'
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)
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# Step 2: Run annotation - NOTE: use clustertype='leiden', NOT cluster='leiden'!
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anno_result = scsa.cell_anno(clustertype='leiden', cluster='all')
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+
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# Step 3: Add cell type labels to adata.obs
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scsa.cell_auto_anno(adata, clustertype='leiden', key='scsa_celltype')
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# Results are stored in adata.obs['scsa_celltype']
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```
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**WRONG - DO NOT USE:**
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```python
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# WRONG! 'cluster' is NOT a valid parameter for cell_auto_anno!
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# scsa.cell_auto_anno(adata, cluster='leiden') # ERROR!
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```
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+
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73
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### COSG Marker Genes - Results stored in adata.uns, NOT adata.obs
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**CORRECT usage:**
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```python
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# Step 1: Run COSG marker gene identification
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+
ov.single.cosg(adata, groupby='leiden', n_genes_user=50)
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79
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+
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80
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+
# Step 2: Access results from adata.uns (NOT adata.obs!)
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marker_names = adata.uns['rank_genes_groups']['names'] # DataFrame with cluster columns
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+
marker_scores = adata.uns['rank_genes_groups']['scores']
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83
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+
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84
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+
# Step 3: Get top markers for specific cluster
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85
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+
cluster_0_markers = adata.uns['rank_genes_groups']['names']['0'][:10].tolist()
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86
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+
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87
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+
# Step 4: To create celltype column, manually map clusters to cell types
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88
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+
cluster_to_celltype = {
|
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89
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+
'0': 'T cells',
|
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90
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+
'1': 'B cells',
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91
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+
'2': 'Monocytes',
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92
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+
}
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93
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+
adata.obs['cosg_celltype'] = adata.obs['leiden'].map(cluster_to_celltype)
|
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94
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+
```
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95
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+
|
|
96
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+
**WRONG - DO NOT USE:**
|
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97
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+
```python
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98
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+
# WRONG! COSG does NOT create adata.obs columns directly!
|
|
99
|
+
# adata.obs['cosg_celltype'] # This key does NOT exist after running COSG!
|
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100
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+
# adata.uns['cosg_celltype'] # This key also does NOT exist!
|
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101
|
+
```
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|
102
|
+
|
|
103
|
+
### Common Pitfalls to Avoid
|
|
104
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+
|
|
105
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+
1. **pySCSA parameter confusion**:
|
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106
|
+
- `clustertype` = which obs column contains cluster labels (e.g., 'leiden')
|
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107
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+
- `cluster` = which specific clusters to annotate ('all' or specific cluster IDs)
|
|
108
|
+
- These are DIFFERENT parameters!
|
|
109
|
+
|
|
110
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+
2. **COSG result access**:
|
|
111
|
+
- COSG is a marker gene finder, NOT a cell type annotator
|
|
112
|
+
- Results are per-cluster gene rankings stored in `adata.uns['rank_genes_groups']`
|
|
113
|
+
- To assign cell types, you must manually map clusters to cell types based on markers
|
|
114
|
+
|
|
115
|
+
3. **Result storage patterns in OmicVerse**:
|
|
116
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+
- Cell type annotations → `adata.obs['<key>']`
|
|
117
|
+
- Marker gene results → `adata.uns['<key>']` (includes 'names', 'scores', 'logfoldchanges')
|
|
118
|
+
- Differential expression → `adata.uns['rank_genes_groups']`
|
|
119
|
+
|
|
120
|
+
## Examples
|
|
121
|
+
- "Run SCSA with both CellMarker and PanglaoDB references on PBMC3k, then benchmark against manual marker assignments before feeding the results into CellVote."
|
|
122
|
+
- "Annotate tumour microenvironment states in the MetaTiME Figshare dataset, highlight Major_MetaTiME classes, and export the label distribution per patient."
|
|
123
|
+
- "Download Cell Ontology resources, map `haber_2017_regions` clusters to ontology terms, and enrich ambiguous clusters using Cell Taxonomy hints."
|
|
124
|
+
- "Propagate RNA-derived `major_celltype` labels onto GLUE-integrated ATAC cells and report clusters with high transfer uncertainty."
|
|
125
|
+
|
|
126
|
+
## References
|
|
127
|
+
- Tutorials and notebooks: [`t_cellanno.ipynb`](../../../omicverse_guide/docs/Tutorials-single/t_cellanno.ipynb), [`t_metatime.ipynb`](../../../omicverse_guide/docs/Tutorials-single/t_metatime.ipynb), [`t_cellvote.md`](../../../omicverse_guide/docs/Tutorials-single/t_cellvote.md), [`t_cellvote_pbmc3k.ipynb`](../../../omicverse_guide/docs/Tutorials-single/t_cellvote_pbmc3k.ipynb), [`t_cellmatch.ipynb`](../../../omicverse_guide/docs/Tutorials-single/t_cellmatch.ipynb), [`t_gptanno.ipynb`](../../../omicverse_guide/docs/Tutorials-single/t_gptanno.ipynb), [`t_anno_trans.ipynb`](../../../omicverse_guide/docs/Tutorials-single/t_anno_trans.ipynb).
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+
- Sample data & assets: PBMC3k matrix from 10x Genomics, MetaTiME `TiME_adata_scvi.h5ad` (Figshare), SCSA database downloads, GLUE embeddings under `data/analysis_lymph/`, Cell Ontology `cl.json`, and Cell Taxonomy resource.
|
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129
|
+
- Quick copy commands: [`reference.md`](reference.md).
|