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

Pascal T. Merz, Wei-Tse Hsu, Matt W. Thompson, Simon Boothroyd, Chris C. Walker, Michael R. Shirts. physical_validation: A Python package to assess the physical validity of molecular simulation results. J. Open Source Software, 7(69):3981, 2022. [doi]

Authors

Pascal T. Merz

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Wei-Tse Hsu

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Matt W. Thompson

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Simon Boothroyd

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Chris C. Walker

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Michael R. Shirts

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