REINVENT 4
AstraZeneca's generative molecular design framework.
| Category | Drug discovery & molecules |
|---|---|
| GitHub | MolecularAI/REINVENT4 |
| First public | 2023-11-07 (source) |
| Paper | https://jcheminf.biomedcentral.com/articles/10.1186/s13321-024-00812-5 |
| License | Apache-2.0 |
| Pricing | Open source |
| Tags | #generative#de-novo |
| Last checked | 2026-10-16 |
Specs
| Task | Generative molecule design (RL, transfer, curriculum learning) |
|---|---|
| Molecular representation | SMILES (RNN, transformer generators) |
| Open weights | Yes (open source) |
| GitHub stars | 879 |
| Interface | Package |
Specs come from each project's README, paper or official page · REINVENT 4 README · REINVENT 4 paper. “—” means we couldn't verify it.
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