molfeat
Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.
Details
- Path
- skills/molfeat
- License
- Apache-2.0 license
- Allowed tools
- 1
- Dependencies
- 3
Allowed tools
Read Write Edit Bash