home/categories/scientific-computing/oimiragieo-agent-studio-claude-skills-scientific-skills-skills-molfeat-skill-md
scientific-computingresearch
molfeat
Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.
maintainer
oimiragieo
Atualizado 3/6/2026
Estrelas
24
Forks
2
quick start
Installation and usage
Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.
Instalação
$ install --globalskills.sh
Uso
Depois de instalar, você pode usar esta skill executando o seguinte comando no terminal:
skills use molfeat