Individual skill
torchdrug
Builds and troubleshoots TorchDrug 0.2.1 workflows for molecular graphs, property prediction, self-supervised pretraining, molecule generation, retrosynthesis, protein representation learning, and knowledge graph reasoning. Use when code imports torchdrug or needs its datasets, models, tasks, or Engine.
skills/torchdrug/SKILL.md
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- ai-scientist Repository topic
- bioinformatics Repository topic
- chemoinformatics Repository topic
- claude Repository topic
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# TorchDrug
Use TorchDrug as a modular PyTorch graph-learning stack:
1. load a `datasets.*` dataset,
2. choose a `models.*` representation model,
3. wrap it in a `tasks.*` objective,
4. train and evaluate it with `core.Engine`.
The current official documentation and latest published release are both **0.2.1**
(released July 2023; rechecked October 1, 2026). Treat
newer Python or PyTorch combinations as unverified rather than silently assuming
compatibility.
