Results for “torch”

3 skills

Build and train graph neural networks for drug discovery, protein modeling, and molecular science using PyTorch-native tools.

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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.

ateam-discovery

ateam-discovery