https://github.com/quantori/scip-vina
AutoDock Vina is one of the fastest and most widely used open-source docking engines. It is based on a simple scoring function and rapid gradient-optimization conformational search. It was originally designed and implemented by Dr. Oleg Trott in the Molecular Graphics Lab. This fork of Vina adds changes that allow it to be a part of DockingFactory.
https://github.com/quantori/scip-vina
docking drug-discovery molecular-docking virtual-screening
Last synced: 7 months ago
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AutoDock Vina is one of the fastest and most widely used open-source docking engines. It is based on a simple scoring function and rapid gradient-optimization conformational search. It was originally designed and implemented by Dr. Oleg Trott in the Molecular Graphics Lab. This fork of Vina adds changes that allow it to be a part of DockingFactory.
- Host: GitHub
- URL: https://github.com/quantori/scip-vina
- Owner: quantori
- License: apache-2.0
- Created: 2022-12-19T13:02:41.000Z (almost 3 years ago)
- Default Branch: main
- Last Pushed: 2022-12-31T11:27:27.000Z (almost 3 years ago)
- Last Synced: 2025-01-07T18:52:02.959Z (9 months ago)
- Topics: docking, drug-discovery, molecular-docking, virtual-screening
- Language: C++
- Homepage:
- Size: 105 KB
- Stars: 0
- Watchers: 2
- Forks: 0
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- License: LICENSE
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README
# AutoDock Vina
AutoDock Vina is one of the fastest and most widely used open-source docking engines. It is a turnkey computational docking program that is based on a simple scoring function and rapid gradient-optimization conformational search. It was originally designed and implemented by Dr. Oleg Trott in the Molecular Graphics Lab.
## Bundle
This fork of AutoDock Vina adds changes that allow it to run as a part of Quantori DockingFactory. The head project of DockingFactory is [DockingFactory Bundle](https://github.com/quantori/scip-dockingfactory-bundle). Other projects that are also parts of the bundle are:
- [DockingFactory](https://github.com/quantori/scip-dockingfactory)
- [DockingInterface](https://github.com/quantori/scip-dockinginterface)
- [Smina](https://github.com/quantori/scip-smina)
- [QVina 2](https://github.com/quantori/scip-qvina)
- [rDock](https://github.com/quantori/scip-rdock)
## License
Autodock Vina is released under [Apache License, Version 2.0](LICENSE)