molfeat

Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.

by pur3v4d3r· Repository·data

Run in AgentArea Browse All Skills

Also installable via skills CLI

npx skills add pur3v4d3r/pur3-pkb-codebase/.claude/skills/__scientific-skills/molfeat

Source

Repo:github.com/pur3v4d3r/pur3-pkb-codebase

Path:.claude/skills/__scientific-skills/molfeat/SKILL.md(main)

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