Molfeat - Molecular Featurization Hub

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

Source: github.com/davila7/claude-code-templates/tree/main/cli-tool/components/skills/scientific/molfeat · License: MIT