GitHub repository: mzott/Psi4-OpenMM-Interface
Primary language: Python
Description: Minimal interface between Psi4 and OpenMM that allows passing of molecular systems between each program. Additionally, some helpful tools are included such as spherical addition of solvent (because adding solvent other than water doesn't work with addSolvent in OpenMM), calculation of bond lengths, angles, dihedrals, and unique conformation searching.