Docking_py is a python library allowing a simplified use of the Smina, vina, qvina2 and qvinaw docking software. Docking_py can be easily automatize and scripted.
- Free software: GNU General Public License v2 (GPLv2)
- Documentation: https://docking-py.readthedocs.io.
- Prepare receptors and ligands.
- Launch docking using:
- Autodock with or without GPU acceleration
- Vina
- Smina
- Qvina2
- Qvinaw
This package was created with Cookiecutter and the audreyr/cookiecutter-pypackage project template.