deepmodeling /DeePMD-kit
Deep learning many-body potential molecular dynamics
★ 2.1k · Updated 2d ago · LGPL-3
Molecular dynamics trajectory analysis
The paper or list names a code repository. The repository itself was not opened.
Last commit 2026-10-26
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
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
openforcefield /Open Force Field Toolkit
Force field parameterization toolkit
★ 418 · Updated 2d 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