keyvalue
id221269504
nameauto-qchem
full_namedoyle-lab-ucla/auto-qchem
html_urlhttps://github.com/doyle-lab-ucla/auto-qchem
descriptionAuto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.
created_atNov. 12, 2019, 5:03 p.m.
updated_atDec. 13, 2024, 3:37 p.m.
pushed_atOct. 22, 2024, 11:23 p.m.
size9,493
stargazers_count88
watchers_count5
forks_count17
open_issues5
languagePython
awesome_list

https://github.com/hsiaoyi0504/awesome-cheminformatics