Agent Skill Detail
torchdrug
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.
UncategorizedID: K-Dense-AI/claude-scientific-skills/torchdrug
Author Information
https://github.com/K-Dense-AI
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