molfeat

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

Try your first task

A source-grounded starter task has not been verified for this skill yet.

Inside SKILL.md

505 lines

Section content has not been verified for this skill yet.

Full source remains withheld under the current source-display policy. Read the author’s source ↗