Chemprop
Message passing neural networks for molecular property prediction.
| Category | Drug discovery & molecules |
|---|---|
| GitHub | chemprop/chemprop |
| First public | 2019-02-07 (source) |
| Paper | https://pubs.acs.org/doi/10.1021/acs.jcim.9b00237 |
| License | MIT |
| Pricing | Open source |
| Tags | #property-prediction#gnn |
| Last checked | 2026-10-16 |
Specs
| Task | Property prediction |
|---|---|
| Molecular representation | Molecular graph (message passing NN) |
| Open weights | — |
| GitHub stars | 2,505 |
| Interface | Colab, Web |
Specs come from each project's README, paper or official page · Chemprop README · Chemprop paper. “—” means we couldn't verify it.
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