.. image:: _static/logo.png
   :alt: PyaiVS Logo
   :align: center

PyaiVS
======

PyaiVS is designed to unify AI-driven virtual screening workflows by integrating various machine learning algorithms, molecular representations, and data splitting strategies to accelerate ligand discovery.


.. toctree::
   :maxdepth: 2
   :caption: Contents:

   installation
   tutorial
   developer_guide