/DockingPP

Primary LanguageJupyter Notebook

DockingPP

This purpose of this module is to rescore docking results (for now, zdock results) with different scores and clustering methods.

Installation

Required python packages are in requirements.txt

pip install -r requirements.txt

Soon : DockingPP will be a pip package.

API usage

Documentation of API functions : DockingPP documentation

Example of API usage in python notebook : notebook/usage.ipynb