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"gmxapi: A GROMACS-native Python interface for molecular dynamics with ..."

M. Eric Irrgang, Caroline Davis, Peter M. Kasson (2022)

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DOI: 10.1371/JOURNAL.PCBI.1009835

access: open

type: Journal Article

metadata version: 2023-08-28

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M. Eric Irrgang, Caroline Davis, Peter M. Kasson:
gmxapi: A GROMACS-native Python interface for molecular dynamics with ensemble and plugin support. PLoS Comput. Biol. 18(2) (2022)

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