MOSAIC: A Data Model and File Formats for Molecular Simulations

Abstract : The MOlecular SimulAtion Interchange Conventions (MOSAIC) consist of a data model for molecular simulations and of concrete implementations of this data model in the form of file formats. MOSAIC is designed as a modular set of specifications, of which the initial version covers molecular structure and configurations. A reference implementation in the Python language facilitates the development of simulation software based on MOSAIC.
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https://hal.archives-ouvertes.fr/hal-01179151
Contributor : Isabelle Frapart <>
Submitted on : Tuesday, July 21, 2015 - 5:27:54 PM
Last modification on : Tuesday, June 18, 2019 - 11:46:02 AM

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Konrad Hinsen. MOSAIC: A Data Model and File Formats for Molecular Simulations. Journal of Chemical Information and Modeling, American Chemical Society, 2014, 54 (1), pp.131-137. ⟨10.1021/ci400599y⟩. ⟨hal-01179151⟩

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