AutoDock Vina
Fast, widely used open-source molecular docking engine.
| Category | Drug discovery & molecules |
|---|---|
| GitHub | ccsb-scripps/AutoDock-Vina |
| First public | 2021-03-01 (source) |
| Paper | https://pubs.acs.org/doi/10.1021/acs.jcim.1c00203 |
| License | Apache-2.0 |
| Pricing | Open source |
| Tags | #docking |
| Last checked | 2026-10-16 |
Specs
| Task | Docking, virtual screening (multi-ligand, batch) |
|---|---|
| Molecular representation | 3D structures (scoring function) |
| Open weights | — |
| GitHub stars | 1,086 |
| Interface | — |
Specs come from each project's README, paper or official page · AutoDock Vina README · AutoDock Vina paper. “—” means we couldn't verify it.
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