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ptmerz committed Jan 6, 2022
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physical_validation: A Python package to assess the physical validity of molecular simulation results
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`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
> 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
> Merz et al., (2022). physical_validation: A Python package to assess the physical validity of molecular simulation results. Journal of Open Source Software, 7(69), 3981, https://doi.org/10.21105/joss.03981
`physical_validation` incorporates the functionality of [checkensemble](https://github.com/shirtsgroup/checkensemble).

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