datamol

star 5

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

By ViggyV schedule Updated 11/24/2025

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Install via CLI

npx skills add https://github.com/ViggyV/claude-skills --skill datamol

Repository Details

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article Path SKILL.md

Occupations

Biochemists And Biophysicists