Binding Affinity Calculator 2, a ground up rewrite of the BAC tool intended to unify and simplify the maintenance and use of the tool, and provide a platform on which new functionality can be built.
These instructions will get you a copy of the project up and running on your local machine for development and testing purposes.
You will need Python 3.6 or higher. Using a conda environment is the easiest way to go.
You need to clone this repository and run
pip install BAC2/
- Kristof Farkas-Pall
- Dave W. Wright
- Stefan Zasada
- Fouad Husseini
See also the list of contributors who participated in this project.
This project is licensed under the Apache License - see the LICENSE.md file for details
- bac - code
- build - build layer API top level directory
- present - present layer API top level directory
- simulate - simulate layer API top level directory
- remote - execution of simulation on remote servers
- client - client code
- docs - documentation