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cff-version: "1.2.0" authors: - family-names: Janssen given-names: Jan orcid: "https://orcid.org/0000-0001-9948-7119" - family-names: George given-names: Janine orcid: "https://orcid.org/0000-0001-8907-0336" - family-names: Geiger given-names: Julian orcid: "https://orcid.org/0000-0003-0023-1960" - family-names: Bercx given-names: Marnik orcid: "https://orcid.org/0000-0001-8470-1012" - family-names: Wang given-names: Xing - family-names: Ertural given-names: Christina orcid: "https://orcid.org/0000-0002-7696-5824" - family-names: Schaarschmidt given-names: Joerg orcid: "https://orcid.org/0000-0002-4389-2366" - family-names: Ganose given-names: Alex orcid: "https://orcid.org/0000-0002-4486-3321" - family-names: Pizzi given-names: Giovanni orcid: "https://orcid.org/0000-0002-3583-4377" - family-names: Hickel given-names: Tilmann orcid: "https://orcid.org/0000-0003-0698-4891" - family-names: Neugebauer given-names: Joerg orcid: "https://orcid.org/0000-0002-7903-2472" title: "A Python workflow definition for computational materials design" version: 0.1.1 doi: 10.1039/D5DD00231A date-released: 2025-10-25 license: bsd-3-clause url: "https://github.com/pythonworkflow/python-workflow-definition"