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data · Found in 8 repositories

datamol

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

View source: pur3v4d3r/pur3-pkb-codebase ↗

Install from source

Install using Skill Manager:

sk install https://github.com/pur3v4d3r/pur3-pkb-codebase/tree/main/.claude/skills/__scientific-skills/datamol/SKILL.md

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Exact Markdown body copies across 8 repositories. This count does not identify the original author.

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