OFFICIAL: AnteChamber PYthon Parser interfacE
gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
Python API for cpptraj: a data analysis package for biomolecular simulation
MLIP wrapper for AMBER QM/MM (UMA, ORB, MACE, AIMNet2)
