Metadata-Version: 2.1
Name: aqme
Version: 1.5.2
Summary: Automated Quantum Mechanical Environments
Home-page: https://github.com/jvalegre/aqme
Download-URL: https://github.com/jvalegre/aqme/archive/refs/tags/1.5.2.tar.gz
Author: Shree Sowndarya S. V., Juan V. Alegre Requena
Author-email: svss@colostate.edu, jvalegre@unizar.es
License: MIT
Keywords: workflows,computational chemistry,conformational sampling,cheminformatics,quantum mechanics,DFT,automated
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Developers
Classifier: Topic :: Software Development :: Build Tools
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Requires-Python: >=3.0
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: PyYAML
Requires-Dist: pandas>=2.0.2
Requires-Dist: progress
Requires-Dist: ase
Requires-Dist: numpy
Requires-Dist: cclib==1.7.2
Requires-Dist: matplotlib
Requires-Dist: seaborn
Requires-Dist: cffi
Requires-Dist: goodvibes
Requires-Dist: py3Dmol
Requires-Dist: ipywidgets
Requires-Dist: dbstep

Documentation in Read The Docs: https://aqme.readthedocs.io
