Molecular Dynamics Software Interoperability Workshop Report

Molecular Dynamics Software Interoperability Workshop Report

This is the Molecular Dynamics Software Interoperability workshop report. This workshop was focused on interoperability of molecular dynamics software, calculation reproducibility and best practices for research code and data sharing. The workshop was funded by MolSSI and held on Nov 3-5, 2019 in Ne...

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Bibliographische Detailangaben
1. Verfasser: Condic-Jurkic, Karmen
Format: Report
Sprache:eng
Schlagworte:
interoperability
molecular dynamics
reproducibility
simulations
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Beschreibung
Zusammenfassung:This is the Molecular Dynamics Software Interoperability workshop report. This workshop was focused on interoperability of molecular dynamics software, calculation reproducibility and best practices for research code and data sharing. The workshop was funded by MolSSI and held on Nov 3-5, 2019 in New York. The report summarizes the main conclusions of the workshop and provides links to additional materials, such as meeting notes and video recordings of each session.
DOI:10.5281/zenodo.7152684