deepchem
•published 2026/03/13
Molecular ML with diverse featurizers and pre-built datasets. Use for property prediction (ADMET, toxicity) with traditional ML or GNNs when you want extensive featurization options and MoleculeNet benchmarks. Best for quick experiments with pre-trained models, diverse molecular representations. For graph-first PyTorch workflows use torchdrug; for benchmark datasets use pytdc.
📦 Install Skill
Command line install
Install directly with the `skills` CLI.
npx skills add majiayu000/claude-skill-registry-data/other/other/deepchem-k-dense-ai-claude-scientific-skFile Explorer
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