choderalab / yank

An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.

Date Created 2013-10-22 (11 years ago)

Commits 3,094 (last one 2 years ago)

Stargazers 181 (0 this week)

Watchers 24 (0 this week)

Forks 71

License mit

Ranking

RepositoryStats indexes 595,856 repositories, of these choderalab/yank is ranked #194,430 (67th percentile) for total stargazers, and #92,462 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #34,876/119,431.

choderalab/yank is also tagged with popular topics, for these it's ranked: python (#9,150/22324), molecular-dynamics (#40/120), drug-discovery (#40/120)

Other Information

choderalab/yank has 8 open pull requests on Github, 504 pull requests have been merged over the lifetime of the repository.

Github issues are enabled, there are 238 open issues and 523 closed issues.

There have been 47 releases, the latest one was published on 2019-11-10 (5 years ago) with the name 0.25.2 - Bugfix release.

Homepage URL: http://getyank.org

All Topics

mskcc openmm python alchemical free-energy drug-discovery molecular-dynamics free-energy-perturbation molecular-dynamics-simulation alchemical-free-energy-calculations

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1 commits on the default branch (master) since jan '22

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

updated: 2024-12-21 @ 05:53am, id: 13779937 / R_kgDOANJD4Q