quantaosun / Dock-MD-FEP

Open Source, Automated free binding free energy calculation between protein and small molecule. An all-in-one workflow, free energy pertubation with OpenMM.

quantaosun
quantaosun
Date Created 2022-09-17 (2 years ago)
Commits 159 (last one 7 months ago)
Stargazers 51 (0 this week)
Watchers 2 (0 this week)
Forks 11
License mit
Ranking

RepositoryStats indexes 633,155 repositories, of these quantaosun/Dock-MD-FEP is ranked #484,947 (23rd percentile) for total stargazers, and #482,219 for total watchers. Github reports the primary language for this repository as Jupyter Notebook, for repositories using this language it is ranked #12,973/19,083.

quantaosun/Dock-MD-FEP is also tagged with popular topics, for these it's ranked: simulation (#880/1072),  gpu (#826/968)

Other Information

quantaosun/Dock-MD-FEP has Github issues enabled, there are 5 open issues and 3 closed issues.

Star History

Github stargazers over time

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Watcher History

Github watchers over time, collection started in '23

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Recent Commit History

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

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Issue History

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Languages

The primary language is Jupyter Notebook but there's also others...

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updated: 2025-03-14 @ 04:05am, id: 537701994 / R_kgDOIAyuag