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
更新於 3/3/2026
星標
18069
分支
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.
安裝
$ install --globalskills.sh
使用
安裝後，您可以通過在終端運行以下命令來使用此技能：
skills use molfeat