.. OCDocker documentation master file, created by
   sphinx-quickstart on Mon Jan 16 14:04:10 2023.
   You can adapt this file completely to your liking, but it should at least
   contain the root `toctree` directive.

Welcome to OCDocker's documentation!
====================================

Introduction
------------
OCDocker is a project designed to make the process of Virtual Screening (VS) more automatic. It contains interfaces for the most popular docking software, such as AutoDock Vina, SMINA, and PLANTS (More to be implemented). It is also capable of extracting molecular descriptors from the ligands and receptors, and performing post-processing of the results. Then finally train and apply machine learning models to perform consensus scoring.

.. toctree::
   :maxdepth: 5
   :caption: Contents:

   OCDocker
   modules
   OCDockerConsole


Indices and tables
==================

* :ref:`genindex`
* :ref:`modindex`
* :ref:`search`