This repo is primarily to store handy quick Python scripts for post-processing and such.
Takes in a list of docking poses with tab-separated grades and multi-sdf of docking output (00's/000's of poses, etc.), removes those that weren't graded, dumps them into a new sdf.
Takes in a list of docking poses with tab-separated grades and multi-pdb of docking receptor output (00's/000's of receptors, etc.), removes those that weren't graded, dumps them into a new sdf.