home/categories/computational-chemistry/k-dense-ai-scientific-agent-skills-scientific-skills-molfeat-skill-md
computational-chemistryresearch
molfeat
Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.
maintainer
K-Dense-AI
Mis à jour 3/3/2026
Étoiles
18069
Forks
1997
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.
Installation
$ install --globalskills.sh
Utilisation
Après l'installation, vous pouvez utiliser ce skill en exécutant la commande suivante dans votre terminal :
skills use molfeat