Physical validation reference

physical_validation is a package aimed at testing results obtained by molecular dynamics simulations for their physical validity.


The physical validation methodology has been described in Merz PT, Shirts MR (2018), Testing for physical validity in molecular simulations. PLoS ONE 13(9): e0202764.


We are always looking to enlarge our set of tests. If you are a MD user or developer and have suggestions for physical validity tests missing in this package, we would love to hear from you! Please consider getting in touch with us via our github repository.

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