ambertools topic

OFFICIAL: AnteChamber PYthon Parser interfacE

alanwilter

Python interface of cpptraj

Amber-MD

gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.

Valdes-Tresanco-MS

Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks

AspirinCode