choderalab / perses

Experiments with expanded ensembles to explore chemical space

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

Commits 3,843 (last one 11 months ago)

Stargazers 181 (0 this week)

Watchers 21 (0 this week)

Forks 51

License mit

Ranking

RepositoryStats indexes 584,777 repositories, of these choderalab/perses is ranked #192,059 (67th percentile) for total stargazers, and #105,328 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #34,223/116,437.

choderalab/perses is also tagged with popular topics, for these it's ranked: python (#9,050/22023), simulation (#337/1005), molecular-dynamics (#38/117)

Other Information

choderalab/perses has 6 open pull requests on Github, 492 pull requests have been merged over the lifetime of the repository.

Github issues are enabled, there are 221 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

128 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: 2024-11-05 @ 12:33pm, id: 27087846 / R_kgDOAZ1T5g