Data Science & Analytics
AlterLab TorchDrug
Builds PyTorch-native graph neural networks with TorchDrug for molecules and proteins, exposing custom GNN architectures, task/dataset abstractions, molecular generation, retrosynthesis planning, and knowledge-graph reasoning. Use when a project specifically needs TorchDrug's datasets and tasks — GearNet protein-structure models, center-identification/synthon-completion retrosynthesis, or Hetionet knowledge-graph baselines. TorchDrug has had no release since 0.2.1 (July 2023) and needs Python < 3.11, so for new custom GNN work prefer alterlab-torch-geometric, and for ready-made featurizers, MoleculeNet benchmarks, and pre-trained models prefer alterlab-deepchem. Part of the AlterLab Academic Skills suite.
- Publisher / source
- AlterLab-IEU/AlterLab-Academic-Skills (found on the CSV list)
- Upstream record
- AlterLab-IEU/AlterLab-Academic-Skills
- Version
- Version 2
- Published
- Publication review
- Approved for publication
- Content fingerprint
7cf1f3602a32938091718b26969c45dc3d6ec20c2ea75d5f896c6b127fc45ab0