datamol

Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery: SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conform

by pur3v4d3r· Repository·data
Run in AgentAreaBrowse All Skills
Also installable via skills CLI
npx skills add pur3v4d3r/pur3-pkb-codebase/.claude/skills/__scientific-skills/datamol

Source

Repo:github.com/pur3v4d3r/pur3-pkb-codebase
Path:.claude/skills/__scientific-skills/datamol/SKILL.md(main)

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datamol | AgentArea Skills