skills.homes logoskills.homescapability registry
home/categories/scientific-computing/lifangda-claude-plugins-cli-tool-skills-library-scientific-computing-cheminformatics-molfeat-skill-md
cd ..
scientific-computingresearch

molfeat

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

Ver código-fontescientific-computing
lifangda
maintainer
lifangda
Atualizado 10/29/2025
Estrelas
32
Forks
9
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