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 (5 years ago)

Commits 344 (last one 4 months ago)

Stargazers 93 (0 this week)

Watchers 4 (0 this week)

Forks 20

License gpl-3.0

Ranking

RepositoryStats indexes 628,089 repositories, of these doyle-lab-ucla/auto-qchem is ranked #320,568 (49th percentile) for total stargazers, and #364,438 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #60,782/127,953.

doyle-lab-ucla/auto-qchem is also tagged with popular topics, for these it's ranked: machine-learning (#5,102/8364), automation (#1,185/2112)

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 (11 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

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

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

updated: 2025-03-11 @ 11:38am, id: 221269504 / R_kgDODTBOAA