Metadata-Version: 2.1
Name: auto-qchem
Version: 1.3.5
Summary: auto-qchem
Home-page: https://github.com/doyle-lab-ucla/auto-qchem
Author: Andrzej Zuranski, Benjamin Shields, Jason Wang, Winston Gee
License: GPL
Requires-Python: >=3.8
License-File: LICENSE.md
Requires-Dist: numpy (>=1.22)
Requires-Dist: pandas (>=1.3)
Requires-Dist: pyyaml (>=6.0)
Requires-Dist: scipy (>=1.7)
Requires-Dist: fabric (>=2.6)
Requires-Dist: paramiko (>=3.1)
Requires-Dist: pymongo (>=3.10)
Requires-Dist: appdirs (>=1.4)
Requires-Dist: ipywidgets (>=8.0)
Requires-Dist: py3Dmol (>=1.8)
Requires-Dist: jupyterlab (>=3.4)
Requires-Dist: notebook (>=6.4)
Requires-Dist: xlrd (>=2.0)
Requires-Dist: openpyxl (>=3.0)
Requires-Dist: rdkit
Requires-Dist: matplotlib (>=3.5)

automated dft calculation management software
