home/categories/scientific-computing/k-dense-ai-claude-scientific-skills-scientific-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.

K-Dense-AI
maintainer
K-Dense-AI
Actualizado 1/16/2026
Estrellas
6603
Forks
786
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.

Instalación
$ install --globalskills.sh
Uso

Después de instalarlo, puedes usar este skill ejecutando el siguiente comando en tu terminal:

skills use molfeat