molfeat
Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.
Installation
Follow the repository instructions for this skill and your agent. Review the files and dependencies before adding it to your workflow.
View source ↗GuidesSkill instructions
Features and purpose
Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.
Quick start
Follow the repository instructions for this skill and your agent. Review the files and dependencies before adding it to your workflow.
Guides ↗Examples
Read the usage examples in the source repository.
View source ↗Source history
- Indexed on
- 2026-01-21
- Index updated
- 2026-03-02
- Branch
- main
Index and sync dates describe this directory. View the source repository for code history.
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