4 results found Sort:

Valdes-Tresanco-MS
gmx_MMPBSA Valdes-Tresanco-MS
65
225
gpl-3.0
9
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
2,151 commits to master branch, last one 14 days ago
alanwilter
acpype alanwilter
47
204
gpl-3.0
8
OFFICIAL: AnteChamber PYthon Parser interfacE
cns xplor charmm ambermd gromacs python3 ambertools topologies
Created 2017-10-20
661 commits to master branch, last one about a month ago
Amber-MD
pytraj Amber-MD
38
170
unknown
17
Python interface of cpptraj
ambermd ambertools visualization molecular-dynamics trajectory-analysis interactive-analysis
Created 2015-02-02
6,118 commits to master branch, last one 4 months ago
AspirinCode
AlphaPPImd AspirinCode
2
25
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 5 months ago