doyle-lab-ucla / auto-qchem

Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.

Date Created 2019-11-12 (4 years ago)

Commits 344 (last one 15 days ago)

Stargazers 88 (0 this week)

Watchers 5 (0 this week)

Forks 18

License gpl-3.0

Ranking

RepositoryStats indexes 579,238 repositories, of these doyle-lab-ucla/auto-qchem is ranked #314,199 (46th percentile) for total stargazers, and #330,954 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #58,288/115,001.

doyle-lab-ucla/auto-qchem is also tagged with popular topics, for these it's ranked: machine-learning (#4,999/7866), automation (#1,128/1907)

Other Information

doyle-lab-ucla/auto-qchem has Github issues enabled, there are 5 open issues and 12 closed issues.

There have been 8 releases, the latest one was published on 2024-04-10 (7 months ago) with the name v1.3.7.

Homepage URL: https://doyle-lab-ucla.github.io/auto-qchem/

All Topics

feature automation cheminformatics dft-calculations machine-learning

Star History

Github stargazers over time

Watcher History

Github watchers over time, collection started in '23

Recent Commit History

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

Yearly Commits

Commits to the default branch (master) per year

Issue History

Languages

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

updated: 2024-11-05 @ 08:08pm, id: 221269504 / R_kgDODTBOAA