deepmodeling /DeePMD-kit
Deep learning many-body potential molecular dynamics
★ 2.1k · Updated 2d ago · LGPL-3
Force field parameterization toolkit
The paper or list names a code repository. The repository itself was not opened.
Last commit 2026-10-27
The year the source list gave; the exact date was not checked.
deepmodeling /DeePMD-kit
Deep learning many-body potential molecular dynamics
★ 2.1k · Updated 2d ago · LGPL-3
MDAnalysis /MDAnalysis
Molecular dynamics trajectory analysis
★ 1.7k · Updated 3d ago · Licence unknown
gromacs /GROMACS
Molecular dynamics simulation toolkit
★ 973 · Updated 2d ago · LGPL-2
plumed /PLUMED
Development version of plumed 2
★ 524 · Updated 2d ago · LGPL-3
Radical-AI /TorchSim
Batched atomistic simulation framework
★ 494 · Updated 6w ago · MIT
deepmodeling /DP-GEN
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
★ 399 · Updated 6w ago · LGPL-3