Metadata-Version: 2.1
Name: aqme
Version: 1.7.2
Summary: Automated Quantum Mechanical Environments
Home-page: https://github.com/jvalegre/aqme
Download-URL: https://github.com/jvalegre/aqme/archive/refs/tags/1.7.2.tar.gz
Author: Juan V. Alegre Requena
Author-email: jv.alegre@csic.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
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.10
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: PyYAML
Requires-Dist: pandas==2.2.3
Requires-Dist: progress
Requires-Dist: numpy==1.26.4
Requires-Dist: rdkit==2024.3.3
Requires-Dist: cclib==1.7.2
Requires-Dist: cffi
Requires-Dist: morfeus-ml==0.7.2

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