choderalab / perses

Experiments with expanded ensembles to explore chemical space

Date Created 2014-11-24 (10 years ago)

Commits 3,844 (last one 4 months ago)

Stargazers 190 (0 this week)

Watchers 19 (0 this week)

Forks 50

License mit

Ranking

RepositoryStats indexes 632,894 repositories, of these choderalab/perses is ranked #195,107 (69th percentile) for total stargazers, and #114,146 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #35,567/129,085.

choderalab/perses is also tagged with popular topics, for these it's ranked: python (#9,190/23414), simulation (#353/1071), molecular-dynamics (#39/126)

Other Information

choderalab/perses has 7 open pull requests on Github, 492 pull requests have been merged over the lifetime of the repository.

Github issues are enabled, there are 222 open issues and 427 closed issues.

There have been 22 releases, the latest one was published on 2023-09-15 (about a year ago) with the name 0.10.3.

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

All Topics

openmm python simulation molecular-design expanded-ensembles molecular-dynamics relative-free-energy free-energy-perturbation

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Github watchers over time, collection started in '23

Recent Commit History

129 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: 2025-03-15 @ 03:20pm, id: 27087846 / R_kgDOAZ1T5g