TorchDrug
PyTorch platform for drug discovery ML.
| Category | Drug discovery & molecules |
|---|---|
| GitHub | DeepGraphLearning/torchdrug |
| First public | 2021-10-23 (source) |
| Paper | https://arxiv.org/abs/2202.08320 |
| License | Apache-2.0 |
| Pricing | Open source |
| Tags | #pytorch#graph |
| Last checked | 2026-10-16 |
Specs
| Task | Property prediction, molecule design, retrosynthesis, KG reasoning |
|---|---|
| Molecular representation | — |
| Open weights | — |
| GitHub stars | 1,589 |
| Interface | Package, Colab |
Specs come from each project's README, paper or official page · TorchDrug README · TorchDrug site. “—” means we couldn't verify it.
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