tag:joss.theoj.org,2005:/papers/tagged/molecular%20mechanicsJournal of Open Source Software2022-01-06T17:19:17ZJournal of Open Source Softwarehttps://joss.theoj.orgtag:joss.theoj.org,2005:Paper/31972022-01-06T17:19:17Z2022-01-07T00:02:00Zphysical_validation: A Python package to assess the physical validity of molecular simulation resultsacceptedv1.02021-11-30 09:51:45 UTC692022-01-06 17:19:17 UTC720223981PascalT.MerzDepartment of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, CO 80309, United States of America0000-0002-7045-8725Wei-TseHsuDepartment of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, CO 80309, United States of AmericaMattW.ThompsonDepartment of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, CO 80309, United States of AmericaSimonBoothroydBoothroyd Scientific Consulting Ltd., 71-75 Shelton Street, London, United KingdomChrisC.WalkerDepartment of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, CO 80309, United States of AmericaMichaelR.ShirtsDepartment of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, CO 80309, United States of America0000-0003-3249-109710.21105/joss.03981https://doi.org/10.5281/zenodo.5815657Pythonhttps://joss.theoj.org/papers/10.21105/joss.03981.pdfmolecular simulation, molecular dynamics, molecular mechanics, statistical mechanics, physical validation