Chemistry Repositories

To ease the selection of a suitable research data repository for chemistry research data, NFDI4Chem provides a list of trusted, chemistry-friendly repositories. This page only lists our recommendations. To get more information, please refer to the section on Data Publishing or more specifically the page Choose a Repository in the NFDI4Chem Knowledge Base.

Core Repositories

  • Chemotion Repository
    Field-specific sample and reaction-centric repository including analysis data such as NMR, UV-VIS, IR, and MS data.
  • MassBank EU*
    Field-specific ecosystem of databases and tools for mass spectrometry reference spectra.
  • nmrXiv
    Field-specific repository for NMR data.
  • RADAR4Chem
    Generic, multidisciplinary repository that offers a free and reliable home for all chemical research data that do not fulfil the specifications of field-specific repositories.
    Field-specific repository for enzymology data, which incorporates the STRENDA Guidelines for reporting enzymology data.
    Field-specific repository for intermolecular interactions data.

*Resource which does not accept direct submission of MS data in vendor or mzML format, but data in MassBank format, see RMassBank.

Associated Repositories

  • Cambridge Structural Database (CSD)*
    Field-specific repository for x-ray diffraction data of molecules generally containing at least carbon and hydrogen, operated by the Cambridge Crystallographic Data Centre (CCDC).
  • Inorganic Crystal Structure Database (ICSD)*
    Field-specific repository for x-ray diffraction data of inorganic compounds, elements, minerals, intermetallic phases and ionic solids, operated by FIZ Karlsruhe.
  • Joint CCDC/FIZ Access Structures Service
    Service that provides open access to the CSD Structure Depot, but not to all CSD data.

*Resource for which a license agreement is required.

Further Repositories

    Field-specific repository for computational materials science data.
  • ioChem-BD
    Field-specific repository for computational chemistry data.
  • RADAR*
    Generic, multidisciplinary repository for all types of chemical research data that do not meet the specifications of any field-specific repository.
  • Zenodo
    Generic repository developed under the European OpenAIRE program, operated by CERN.
    Generic repository operated by a pan-european network consisting of more than 25 research organisations, data and computing centers.

*Resource for which a license agreement is required.

More about Repositories

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