molfeat

K-Dense-AI/scientific-agent-skills/skills/molfeat

43.5k 0PythonData Analysis
PlatformClaude Code

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

Claude Code

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