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133

342

bsd-3-clause

24

Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

gpu cuda docker python hoomd-blue simulation conda-forge singularity hard-particle particle-system molecular-dynamics monte-carlo-simulation

Created 2018-09-06

24,727 commits to trunk-patch branch, last one 16 days ago

29

85

gpl-3.0

16

Software Suite for Advanced General Ensemble Simulations

qbox lammps miccom gromacs hoomd-blue enhanced-sampling collective-variables scientific-machine-learning

Created 2016-09-30

1,435 commits to release-0.9 branch, last one 3 years ago

26

75

other

8

Python Suite for Advanced General Ensemble Simulations

ase jax miccom openmm python pysages hoomd-blue gpu-support hacktoberfest enhanced-sampling collective-variables scientific-machine-learning

Created 2020-09-05

577 commits to main branch, last one 20 days ago