Turn any AI coding assistant into a computational biologist's research partner
📖 Full documentation —— quick start, skill catalogue, methodology references, and troubleshooting
A curated collection of Agent Skills for computational biology. Every skill is a standardized
SKILL.md package that gives Claude Code, Cursor, Codex, and any other host supporting the
open Agent Skills standard domain expertise, reproducible workflows, and
validation checks — instead of another generalist that merely knows how to call an API.
Coverage spans transcriptomics, single-cell analysis, protein structure, molecular dynamics, protein docking, inter-chain contact analysis with PyMOL visualization, antimicrobial peptide design, ML peptide generation, literature mining, NCBI BioProject metadata, and publication-grade figures.
Refactored from a private archive of 217 real research scripts into a discoverable, triggerable, reproducible skill library that follows an open standard. The per-script mapping — what was ported, what was rewritten, and why — is documented in the migration map.
Most AI assistants can write scanpy code. They do not know:
- how much mitochondrial gene percentage to drop from your single-cell data before the filter starts eating real cells
- why DESeq2's
padjsuddenly came back allNA— almost always a mis-specifieddesign - which flexible loop the first spike in an RMSF curve corresponds to, and what experiment to run on it
- which of 3,000 retrieved papers are genuinely target discovery rather than functional validation
- where to truncate the axes of a reviewer-requested ROC curve so it does not invite criticism
Those are the things this project carries. Each skill ships a references/methodology.md
recording the scientific reasoning behind parameter choices, a references/troubleshooting.md
recording root causes for common failures, and a Validation section in SKILL.md describing how to
check whether your results are right.
git clone https://github.com/ssinder/bioinformatics-agent-skills.git
cp -r bioinformatics-agent-skills/skills/* ~/.claude/skills/Restart Claude Code and the skills are discovered automatically. Ask it to "run a bulk RNA-seq
differential expression analysis" and it will load the bulk-rnaseq skill on its own.
pip install -e .
biopipe --list # list every skill
biopipe bulk-rnaseq --help # usage for one skillexport PYTHONPATH="$PWD/packages"
# peptide physicochemical properties
python skills/peptide-design/scripts/analyze_peptides.py \
--input peptides.fasta --output results/peptide_stats.csv
# ROC curve
python skills/scientific-figures/scripts/make_figures.py roc \
--input metrics.csv --output figures/roc.png
# literature search
python skills/literature-search/scripts/search_literature.py \
--topic "antimicrobial peptide delivery" --source pubmed --max-results 50| Skill | Description | Key capabilities |
|---|---|---|
bulk-rnaseq |
RNA-seq quantification and differential expression | FastQC QC · Salmon quantification · DESeq2 differential analysis · GO/KEGG enrichment |
ena-download |
ENA raw data download | Portal API FASTQ retrieval · resumable transfers · MD5 verification · metadata export |
single-cell-rnaseq |
Standard single-cell RNA-seq workflow | QC filtering · CP10K normalization · HVG · PCA · Leiden clustering · UMAP · cell annotation |
| Skill | Description | Key capabilities |
|---|---|---|
protein-structure |
PDB structure parsing and secondary structure | Built-in PDB parser · DSSP secondary structure · geometry computation · UniProt metadata |
protein-interactions |
Protein-ligand interactions | PLIP XML parsing · residue-level extraction · interaction networks · PyMOL annotations |
molecular-dynamics |
Molecular dynamics simulation and trajectory analysis | RMSD/RMSF/PCA · hydrogen bonds · Ramachandran · trajectory clustering · built-in DCD parser |
alphafold-db |
AlphaFold DB structure download | API link resolution · batch download · pLDDT confidence filtering · metadata export |
protein-docking-hdock |
HDOCK protein docking | HTTP job submission · Docking Score · confidence formula · model download · queue-status distinction |
protein-docking-lightdock |
LightDock local protein docking | GSO swarm optimization · DFIRE scoring parsing · best-complex assembly · resumable batch runs |
pymol-structure-visualization |
Inter-chain residue contacts and PyMOL visualization | Grid spatial partitioning · hydrogen bond/salt bridge/hydrophobic/π-π/cation-π classification · hotspot residues · Mermaid network diagrams · PyMOL script generation |
| Skill | Description | Key capabilities |
|---|---|---|
peptide-design |
Antimicrobial peptide design and screening | Physicochemical properties · hydrophobicity/pI · stability · MMseqs2 clustering for redundancy removal |
ml-peptide-generation |
ML peptide generation and screening | PepMLM masked language model · illegal residue filtering · pseudo-perplexity ranking · reproducible seeds |
| Skill | Description | Key capabilities |
|---|---|---|
bio-database-fetch |
PubChem compound and taxonomy lookup | PUG-REST batch properties · CAS number extraction · full taxonomy lineage · no browser dependency |
| Skill | Description | Key capabilities |
|---|---|---|
literature-search |
Multi-source scholarly literature search | PubMed · OpenAlex · Semantic Scholar · DOI deduplication · RIS/BibTeX export |
bioproject-search |
NCBI BioProject metadata retrieval | E-utilities API · title/description/species · keyword filtering · CSV/JSON export |
paper-fulltext-extract |
Structured full-text extraction from PDFs | GROBID to TEI · section tree/figure/reference parsing · JSON/MD/HTML output · corpus search · lead sentences |
| Skill | Description | Key capabilities |
|---|---|---|
scientific-figures |
Publication-grade figure generation | ROC · confusion matrices · heatmaps · volcano plots · SHAP summaries · unified publication styling |
Self-contained — core algorithms ship as pure Python implementations. No scanpy installed? The single-cell workflow still runs. No OpenMM? DCD trajectories still parse, and RMSD/PCA still compute. Dependencies are optional; capability is not.
Reproducible — fixed random seeds, recorded parameters, pinned versions, and run metadata written alongside the results.
Verifiable — every skill defines its own quality-control stage, so there is an explicit way to check whether the output is correct.
No hardcoded paths — all paths are parameterized and all output follows a standard directory
convention. Not a single /Users/xxx/... is baked into the code.
Zero setup — pip install -e . is enough. No cloud services, API keys, or databases to configure.
bioinformatics-agent-skills/
├── skills/ # 17 independently installable skills
│ ├── bulk-rnaseq/
│ │ ├── SKILL.md # trigger description + workflow + validation
│ │ ├── scripts/ # executable scripts
│ │ └── references/ # methodology + troubleshooting guide
│ └── ...
├── packages/
│ ├── biopipe_core/ # shared layer: config/logging/HTTP retry/CLI/IO
│ └── biopipe/ # unified CLI entry point and skill registry
├── scripts/
│ ├── validate_skills.py # skill spec validator (CI core)
│ └── init_skill.py # skill scaffolding generator
├── tests/ # unit tests and validator self-tests
├── docs/ # usage guides and skill catalogue
└── .github/workflows/ # 7 CI pipelines
git clone https://github.com/ssinder/bioinformatics-agent-skills.git
cd bioinformatics-agent-skills
pip install -e ".[dev]"
python -m pytest tests -v # run the test suite
python scripts/validate_skills.py # validate every skill
python scripts/validate_skills.py --strict # treat warnings as failuresSee CONTRIBUTING.md before adding a new skill.
| Workflow | Purpose |
|---|---|
skill-spec-validation |
Validates that every skill conforms to the Agent Skills spec |
script-syntax |
Multi-version Python syntax check + Ruff linting |
tests |
Unit tests + --help smoke test for every skill |
security-scan |
Dependency vulnerability audit + hardcoded credential scan |
pr-skill-scan |
Targeted validation and reporting for skills changed in a PR |
pages |
Builds and deploys the documentation site |
release |
Automated release packaging |
If you use this project in your research, please cite:
@software{bioinfoagent2026,
title = {BioinfoAgent Skills: Agent Skills for Computational Biology},
author = {sinder},
year = {2026},
url = {https://github.com/ssinder/bioinformatics-agent-skills}
}See CITATION.cff for details.
Contributions of new skills, bug fixes, and documentation improvements are welcome. See CONTRIBUTING.md. Read docs/SKILL_SPEC.md before submitting a new skill.
Participation in this project implies agreement with the Code of Conduct.
MIT © sinder. See LICENSE.
This project provides analysis and computation tooling. Its outputs require independent verification by the researcher and do not constitute medical, clinical, or regulatory advice.
Star this project ★ — help more researchers discover these reproducible research skills.