Search Results - RepositoryStats

57

209

lgpl-3.0

19

Collective variables library for molecular simulation and analysis programs

vmd namd lammps gromacs tinkerhp simulation free-energy enhanced-sampling molecular-dynamics collective-variables

Created 2013-05-23

4,261 commits to master branch, last one 11 days ago

25

90

mit

7

A unified framework for machine learning collective variables for enhanced sampling simulations

python data-driven machine-learning enhanced-sampling collective-variables

Created 2021-09-21

1,138 commits to main branch, last one 28 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

74

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 6 days ago