5 projects
nrgrank
A Python based virtual screening software!
getcleft-py
Python wheels and a wrapper for GetCleft, a tool to find clefts in PDB files
processligand-py
Python wheels and a wrapper for ProcessLigand, a tool to prepare target and ligand files for FlexAID
flexaid-py
Python wheels and a wrapper for FlexAID, a tool for docking
vcon-py
Python wheels and a wrapper for Vcontacts, a tool to compute surface areas in contact using the constrained Voronoi procedure.