diff --git a/README.md b/README.md index 046c28f..3d9c73e 100644 --- a/README.md +++ b/README.md @@ -1,2 +1,89 @@ -# claude-scientific-skills -A set of ready to use scientific skills for Claude +# Claude Scientific Skills + +A comprehensive collection of ready-to-use scientific skills for Claude, curated by the K-Dense team. These skills enable Claude to work with specialized scientific libraries and databases across bioinformatics, cheminformatics, machine learning, materials science, and data analysis. + +## Available Skills + +### Scientific Databases + +- **PubChem** - Access chemical compound data from the world's largest free chemical database (110M+ compounds, 270M+ bioactivities) + +### Scientific Packages + +**Bioinformatics & Genomics:** +- **AnnData** - Annotated data matrices for single-cell genomics and h5ad files +- **Arboreto** - Gene regulatory network inference using GRNBoost2 and GENIE3 +- **BioPython** - Sequence manipulation, NCBI database access, BLAST searches, alignments, and phylogenetics +- **BioServices** - Programmatic access to 40+ biological web services (KEGG, UniProt, ChEBI, ChEMBL) +- **Cellxgene Census** - Query and analyze large-scale single-cell RNA-seq data +- **gget** - Efficient genomic database queries (Ensembl, UniProt, NCBI, PDB, COSMIC) +- **PyDESeq2** - Differential gene expression analysis for bulk RNA-seq data +- **Scanpy** - Single-cell RNA-seq analysis with clustering, marker genes, and UMAP/t-SNE visualization + +**Cheminformatics & Drug Discovery:** +- **Datamol** - Molecular manipulation and featurization with enhanced RDKit workflows +- **DeepChem** - Molecular machine learning, graph neural networks, and MoleculeNet benchmarks +- **DiffDock** - Diffusion-based molecular docking for protein-ligand binding prediction +- **MedChem** - Medicinal chemistry analysis, ADMET prediction, and drug-likeness assessment +- **Molfeat** - 100+ molecular featurizers including fingerprints, descriptors, and pretrained models +- **PyTDC** - Therapeutics Data Commons for drug discovery datasets and benchmarks +- **RDKit** - Cheminformatics toolkit for molecular I/O, descriptors, fingerprints, and SMARTS + +**Machine Learning & Deep Learning:** +- **PyMC** - Bayesian statistical modeling and probabilistic programming +- **PyMOO** - Multi-objective optimization with evolutionary algorithms +- **PyTorch Lightning** - Structured PyTorch training with automatic optimization +- **scikit-learn** - Machine learning algorithms, preprocessing, and model selection +- **Torch Geometric** - Graph Neural Networks for molecular and geometric data +- **Transformers** - Hugging Face transformers for NLU, image classification, and generation +- **UMAP-learn** - Dimensionality reduction and manifold learning + +**Materials Science & Chemistry:** +- **Astropy** - Astronomy and astrophysics (coordinates, cosmology, FITS files) +- **COBRApy** - Constraint-based metabolic modeling and flux balance analysis +- **Pymatgen** - Materials structure analysis, phase diagrams, and electronic structure + +**Data Analysis & Visualization:** +- **Matplotlib** - Publication-quality plotting and visualization +- **Polars** - High-performance DataFrame operations with lazy evaluation +- **Seaborn** - Statistical data visualization +- **ReportLab** - Programmatic PDF generation for reports and documents + +**Phylogenetics & Trees:** +- **ETE Toolkit** - Phylogenetic tree manipulation, visualization, and analysis + +**Genomics Tools:** +- **deepTools** - NGS data analysis (ChIP-seq, RNA-seq, ATAC-seq) with BAM/bigWig files +- **FlowIO** - Flow Cytometry Standard (FCS) file reading and manipulation +- **scikit-bio** - Bioinformatics sequence analysis and diversity metrics +- **Zarr** - Chunked, compressed N-dimensional array storage + +**Multi-omics & Integration:** +- **BioMNI** - Multi-omics data integration with LLM-powered analysis + +## Try in Claude Code, Claude.ai, and the API + +### Claude Code +You can register this repository as a Claude Code Plugin marketplace by running the following command in Claude Code: + +``` +/plugin marketplace add K-Dense-AI/claude-scientific-skills +``` + +Then, to install a specific set of skills: + +1. Select Browse and install plugins +2. Select claude-scientific-skills +3. Select scientific-databases or scientific-packages +4. Select Install now + + +After installing the plugin, you can use the skill by just mentioning it. Additionally, in most case, Claude Code will figure out what to use based on the task. + +### Claude.ai +These example skills are all already available to paid plans in Claude.ai. + +To use any skill from this repository or upload custom skills, follow the instructions in [Using skills in Claude](https://docs.anthropic.com/claude/skills). + +### Claude API +You can use Anthropic's pre-built skills, and upload custom skills, via the Claude API. See the [Skills API Quickstart](https://docs.anthropic.com/claude/skills-api-quickstart) for more.