pydock3 is a Python package wrapping the Fortran program UCSF DOCK that provides tools to help standardize and automate the computational methods employed in molecular docking. It is a natural successor to DOCK Blaster, originally published in 2009, and blastermaster, part of the DOCK 3.7 release in 2012.
Documentation: https://wiki.docking.org/index.php/Pydock3