Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
---|---|---|---|---|---|---|---|---|---|---|
Hoomd Blue | 298 | 1 | 3 months ago | 15 | October 25, 2022 | 29 | bsd-3-clause | C++ | ||
Molecular dynamics and Monte Carlo soft matter simulation on GPUs. | ||||||||||
Gpumd | 273 | 3 months ago | 18 | gpl-3.0 | Cuda | |||||
Graphics Processing Units Molecular Dynamics | ||||||||||
Openmmtools | 214 | 4 | 5 months ago | 10 | August 03, 2022 | 221 | mit | Python | ||
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine. | ||||||||||
Yank | 150 | 1 | a year ago | 1 | January 26, 2021 | 239 | mit | Python | ||
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations. | ||||||||||
Nnpops | 60 | 9 months ago | 1 | March 15, 2022 | 24 | other | C++ | |||
High-performance operations for neural network potentials | ||||||||||
Tinker9 | 44 | 6 months ago | 16 | other | C++ | |||||
Tinker9: Next Generation of Tinker with GPU Support | ||||||||||
Hoomd Tf | 27 | 3 years ago | 8 | mit | Python | |||||
A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD | ||||||||||
Fahbench | 27 | 4 years ago | 14 | gpl-2.0 | C++ | |||||
Folding@home GPU benchmark | ||||||||||
Pair_allegro | 19 | 10 months ago | 2 | mit | C++ | |||||
LAMMPS pair style for Allegro deep learning interatomic potentials with parallelization support | ||||||||||
Cadishi | 9 | 4 years ago | other | Python | ||||||
Cadishi: CAlculation of DIStance HIstograms |