choderalab / openmmtools

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

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

Commits 1,738 (last one about a month ago)

Stargazers 255 (0 this week)

Watchers 37 (0 this week)

Forks 80

License mit

Ranking

RepositoryStats indexes 595,856 repositories, of these choderalab/openmmtools is ranked #151,898 (75th percentile) for total stargazers, and #58,421 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #26,583/119,431.

choderalab/openmmtools is also tagged with popular topics, for these it's ranked: python (#7,407/22324), molecular-dynamics (#27/120)

Other Information

choderalab/openmmtools has 26 open pull requests on Github, 317 pull requests have been merged over the lifetime of the repository.

Github issues are enabled, there are 221 open issues and 156 closed issues.

There have been 53 releases, the latest one was published on 2024-11-18 (about a month ago) with the name 0.24.0 - pyMBAR Behavior Changes + HIP Platform Added.

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

108 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: 2024-12-18 @ 05:58pm, id: 25416166 / R_kgDOAYPR5g