AutoDock Vina
Classic small-molecule docking with an empirical scoring function.
Scripps Research (CCSB)
What it does
Small-molecule docking. Input: receptor PDBQT + ligand + search box; output: docked poses with an empirical affinity score - the baseline for pocket-level triage, not for protein-protein work.
Commercial use
Commercial use OKLicence as writtenApache License 2.0
Apache-2.0 LICENSE file in the repo; permissive.
The licence read at the source allows use by a company. Attribution or copyleft conditions may still apply — read the note.
Is commercial use free of charge?
Free for commercial useNothing to pay: the licence read at the source grants commercial use with no fee, and the code and weights are public downloads. You still pay for your own compute.
Price and rights are separate: this panel is about money, the panel above is about permission.
When to use it
Still the default for cheap small-molecule pose generation on CPU. Its scores rank poses poorly as affinities and it is not meant for protein-protein or antibody work.
Facts
- Maker
- Scripps Research (CCSB)
- Cost for commercial use
- Free for commercial use
- Category
- Docking and affinity estimation
- Compute
- CPU
- Open weights
- Yes
- Licence
- Apache License 2.0
- Official site / repo
- github.com/ccsb-scripps/AutoDock-Vina
- Paper
- pubs.acs.org
- Last verified
Get told when a licence changes
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