choderalab / openmmtools

A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

Date Created 2014-10-19 (10 years ago)

Commits 1,741 (last one about a month ago)

Stargazers 264 (0 this week)

Watchers 34 (0 this week)

Forks 84

License mit

Ranking

RepositoryStats indexes 632,894 repositories, of these choderalab/openmmtools is ranked #153,818 (76th percentile) for total stargazers, and #63,238 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #27,377/129,085.

choderalab/openmmtools is also tagged with popular topics, for these it's ranked: python (#7,498/23414), molecular-dynamics (#27/126)

Other Information

choderalab/openmmtools has 25 open pull requests on Github, 320 pull requests have been merged over the lifetime of the repository.

Github issues are enabled, there are 225 open issues and 156 closed issues.

There have been 54 releases, the latest one was published on 2025-01-31 (about a month ago) with the name 0.24.1.

Homepage URL: http://openmmtools.readthedocs.io

All Topics

mcmc openmm python integrators replica-exchange molecular-dynamics molecular-simulations free-energy-calculations markov-chain-monte-carlo alchemical-free-energy-calculations

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Recent Commit History

111 commits on the default branch (main) since jan '22

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Languages

The primary language is Python but there's also others...

updated: 2025-03-27 @ 06:00am, id: 25416166 / R_kgDOAYPR5g