ricomnl / DockingPP

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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

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