4 results found Sort:

Valdes-Tresanco-MS
gmx_MMPBSA Valdes-Tresanco-MS
71
251
gpl-3.0
8
gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
gmx mmgbsa mmpbsa gromacs ambertools gmx-mmgbsa gmx-mmpbsa energy-calculations
Created 2020-09-13
2,159 commits to master branch, last one 27 days ago
alanwilter
acpype alanwilter
52
224
gpl-3.0
8
OFFICIAL: AnteChamber PYthon Parser interfacE
cns xplor charmm ambermd gromacs python3 ambertools topologies
Created 2017-10-20
663 commits to master branch, last one 2 months ago
Amber-MD
pytraj Amber-MD
38
176
unknown
17
Python interface of cpptraj
ambermd ambertools visualization molecular-dynamics trajectory-analysis interactive-analysis
Created 2015-02-02
6,122 commits to master branch, last one 2 months ago
AspirinCode
AlphaPPImd AspirinCode
3
28
mit
2
Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks
ppi dockq openmm ambertools transformers molecular-dynamics deep-generative-model protein-protein-complexes
Created 2023-03-25
88 commits to main branch, last one 10 months ago