Results for “torchforge”

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

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.

Mines a codebase for evidence-backed improvement opportunities, forcing two escalation gates to surface breakthrough ideas, and outputs a ranked portfolio with a plan seed without implementing.