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Molecular machine learning toolkit. Property prediction (ADMET, toxicity), GNNs (GCN, MPNN), MoleculeNet benchmarks, pretrained models, featurization, for drug discovery ML.
Install Skill
1Download skill
2Enable skills in Claude
Open claude.ai/settings/capabilities and find the "Skills" section
3Upload to Claude
Click "Upload skill" and select the downloaded ZIP file
Note: Please verify skill by going through its instructions before using it.