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]

Abstract

Abstract is missing.