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.

Date Created 2022-09-17 (2 years ago)

Commits 159 (last one 3 months ago)

Stargazers 48 (0 this week)

Watchers 2 (0 this week)

Forks 9

License mit

Ranking

RepositoryStats indexes 584,777 repositories, of these quantaosun/Dock-MD-FEP is ranked #473,827 (19th percentile) for total stargazers, and #478,954 for total watchers. Github reports the primary language for this repository as Jupyter Notebook, for repositories using this language it is ranked #12,502/17,124.

quantaosun/Dock-MD-FEP is also tagged with popular topics, for these it's ranked: simulation (#857/1005), gpu (#795/900)

Other Information

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

All Topics

gpu simulation medicinal-chemistry free-energy-perturbation

Star History

Github stargazers over time

Watcher History

Github watchers over time, collection started in '23

Recent Commit History

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

Yearly Commits

Commits to the default branch (main) per year

Issue History

Languages

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

updated: 2024-11-21 @ 05:45pm, id: 537701994 / R_kgDOIAyuag