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molfeat

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

lifangda
maintainer
lifangda
更新於 10/29/2025
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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