Where and how to store data on-line? - Catalysis - Theoretical chemistry

Catalysis-Hub

  • Field(s) Catalysis, Theoretical chemistry
  • Website https://www.catalysis-hub.org/
  • Carrier institution Center for Interface Science and Catalysis,
    SLAC National Accelerator Laboratory,
    Stanford University
  • Link to publications

    Yes, all data are linked to publications

  • Certification None
  • Perennial ID Non
  • License

    CC-BY 4.0

  • Metadata standard

    The repository is using its own metadata standard : volume, publisher, doi, title, year, email, number, tags, pages.

  • Versioning Non
  • Type of data

    Reaction data from density functional theory (DFT) calculations, represented by graphs and refering to the associated article.

  • Comments

    Use the python package “CatHub” to deposit data. Follow the guidelines here.

    The package will allow you to organize your data according to the repository standard and then publish.

  • Contacts

    winther@stanford.edu