molfeat
Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.
Also installable via skills CLI
npx skills add pur3v4d3r/pur3-pkb-codebase/.claude/skills/__scientific-skills/molfeat
Source
Path:
.claude/skills/__scientific-skills/molfeat/SKILL.md(main)