torchdrug
Description
Graph-based drug discovery toolkit. Molecular property prediction (ADMET), protein modeling, knowledge graph reasoning, molecular generation, retrosynthesis, GNNs (GIN, GAT, SchNet), 40+ datasets, for PyTorch-based ML on molecules, proteins, and biomedical graphs.
How to Use
- Visit the GitHub repository to get the SKILL.md file
- Copy the file to your project root or .cursor/rules directory
- Restart your AI assistant or editor to apply the new skill
Tags
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