molfeat

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

molecular-featurizationmachine-learningQSARSMILES

ovachiever

81

molfeat

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

pythonmachine-learningcheminformaticsmolecular-featurization

K-Dense-AI

3,233360