Metadata-Version: 2.1
Name: physical-validation
Version: 1.0.4
Summary: UNKNOWN
Home-page: https://physical-validation.readthedocs.io
Author: Pascal T. Merz and Michael R. Shirts
Author-email: pascal.merz@me.com, michael.shirts@colorado.edu
License: MIT
Project-URL: Bug Reports, https://github.com/shirtsgroup/physical_validation/issues
Project-URL: Documentation, https://physical-validation.readthedocs.io
Project-URL: Source, https://github.com/shirtsgroup/physical_validation
Keywords: physical-validation,molecular-simulation,molecular-dynamics,molecular-mechanics
Platform: UNKNOWN
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Environment :: Console
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Description-Content-Type: text/markdown
License-File: LICENSE

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physical_validation: A Python package to assess the physical validity of molecular simulation results
=====================================================================================================

`physical_validation` is a package testing results obtained by molecular simulations for their physical validity.

Please cite 
> Merz PT, Shirts MR (2018) Testing for physical validity in molecular simulations. PLoS ONE 13(9): e0202764. https://doi.org/10.1371/journal.pone.0202764

`physical_validation` incorporates the functionality of [checkensemble](https://github.com/shirtsgroup/checkensemble).

This software is developed in the Shirts group at University of Colorado in Boulder.

Documentation
-------------
Please check
[https://physical-validation.readthedocs.io](http://physical-validation.readthedocs.io)
for the full reference.


