alterlab-torchdrug
From the author
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.
Install
npx skills add AlterLab-IEU/AlterLab-Academic-Skills --skill alterlab-torchdrug -a claude-code
Installs to .claude/skills/alterlab-torchdrug/ · Each command fetches the skill straight from GitHub with the open skills CLI.
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