torchdrug

k-dense-ai

•

18.1k19963 months ago

SourceRaw

PyTorch-native graph neural networks for molecules and proteins. Use when building custom GNN architectures for drug discovery, protein modeling, or knowledge graph reasoning. Best for custom model development, protein property prediction, retrosynthesis. For pre-trained models and diverse featurizers use deepchem; for benchmark datasets use pytdc.

npxskills add k-dense-ai/claude-scientific-skills--skill torchdrug