From the author
Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly.
Install
npx skills add K-Dense-AI/scientific-agent-skills --skill datamol -a claude-code
Installs to .claude/skills/datamol/ · Each command fetches the skill straight from GitHub with the open skills CLI.
No download: this skill’s licence (Custom or unclear) does not let us redistribute its files. The install commands fetch them from GitHub instead.
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