~ / skills / data-science / molfeat

molfeat

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

Industry: data-science
License: Unverified
Source repo: K-Dense-AI/scientific-agent-skills · ★ 30,891
Source file: skills/molfeat/SKILL.md

View full SKILL.md on GitHub →

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