dock-postprocess

This looks very useful.

dock-postprocess is an open-source structure-based drug design toolkit for standardizing docking results and carrying them through restrained OpenMM minimization, pose QC, protein-ligand interaction analysis, ligand conformational strain analysis, and integrated design prioritization.

The workflow is designed for practical docking postprocessing where preserving the docked binding geometry is important.

It supports conventional protein-ligand complexes as well as multichain receptors such as molecular-glue and PROTAC ternary complexes.

All code is on GitHub https://github.com/averysader/dock-postprocess