tag

molecular▌

2 indexed skills · max 10 per page

skills (2)

molfeat

datamol-io/molfeat · data

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

deepchem

K-Dense Inc./deepchem · data

Molecular ML with diverse featurizers and pre-built datasets for property prediction and drug discovery.