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Standards‐based metadata management for molecular simulations
1 references·3 citing·11 second hop
Standards‐based metadata management for molecular simulations (2013)Standards‐based metadata management for m…The semantics of Chemical Markup Language (CML) for computational chemistry : CompChem (2012)The semantics of Chemical Mar…Like a rainbow in the dark: metadata annotation for HPC applications in the age of dark data (2021)Like a rainbow in the dark: m…Simulation Foundry: Automated and F.A.I.R. Molecular Modeling (2020)Simulation Foundry: Automated…Managing Complexity in Distributed Data Life Cycles Enhancing Scientific Discovery (2015)Managing Complexity in Distri…Scientific workflow management and the Kepler system (2005)KNIME: The Konstanz Information Miner (2008)Galaxy: a comprehensive approach for supporting accessible, reproducible, and transparent computational research in the life sciences (2010)Ten Simple Rules for Reproducible Computational Research (2013)Best Practices for Scientific Computing (2014)BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows (2019)Martignac: Computational Workflows for Reproducible, Traceable, and Composable Coarse-Grained Martini Simulations (2024)A vision for data science (2013)Reputation and impact in academic careers (2014)Simple data and workflow management with the signac framework (2018)Inclusive Molecular Sketching: Accessibility Barriers in AI-Driven Protein Biodesign Workflows (2025)
this work references cited by second hop

References

  • 2012The semantics of Chemical Markup Language (CML) for computational chemistry : CompChem30 cited

Cited by

  • 2021Like a rainbow in the dark: metadata annotation for HPC applications in the age of dark data20 cited
  • 2020Simulation Foundry: Automated and F.A.I.R. Molecular Modeling14 cited
  • 2015Managing Complexity in Distributed Data Life Cycles Enhancing Scientific Discovery12 cited

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