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DOE OSTI · 2530828

Applying the FAIR Principles to computational workflows

Wilkinson, Sean R. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)] (ORCID:0000000214437479)·Aloqalaa, Meznah [Univ. of Manchester (United Kingdom)] (ORCID:0000000213823896)·Belhajjame, Khalid [Paris Dauphine University (France)] (ORCID:0000000169380820)·Crusoe, Michael R. [Zuse Institute Berlin (ZIB) (Germany)] (ORCID:0000000229619670)·de Paula Kinoshita, Bruno [Barcelona Supercomputing Center (Spain)] (ORCID:0000000182504074)·Gadelha, Luiz [German Cancer Research Center (DKFZ), Heidelberg (Germany)] (ORCID:0000000281229522)·Garijo, Daniel [Universidad Politécnica de Madrid (Spain)] (ORCID:0000000304547145)·Gustafsson, Ove Ragnar [Univ. of Melbourne, VIC (Australia)] (ORCID:0000000229775032)·Juty, Nick [Univ. of Manchester (United Kingdom)] (ORCID:0000000220368350)·Kanwal, Sehrish [University of Melbourne Centre for Cancer Research (UMCCR), Parkville, VIC (Australia)] (ORCID:0000000250444692)·Khan, Farah Zaib [Univ. of Melbourne, VIC (Australia)] (ORCID:0000000263373037)·Köster, Johannes [University of Duisburg-Essen (Germany)] (ORCID:0000000198189320)·Peters-von Gehlen, Karsten [Deutsches Klimarechenzentrum GmbH, Hamburg (Germany)] (ORCID:0000000301582957)·Pouchard, Line Catherine [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000221206521)·Rannow, Randy K. [Silverdraft Supercomputing, Boise, ID (United States)] (ORCID:0009000574066170)·Soiland-Reyes, Stian [Univ. of Manchester (United Kingdom); Univ. of Amsterdam (Netherlands)] (ORCID:0000000198429718)·Soranzo, Nicola [Earlham Institute, Norwich (United Kingdom)] (ORCID:0000000336275340)·Sufi, Shoaib [Univ. of Manchester (United Kingdom)] (ORCID:0000000163902616)·Sun, Ziheng [George Mason Univ., Fairfax, VA (United States)] (ORCID:0000000198100023)·Vilne, Baiba [Riga Stradins University (Latvia)] (ORCID:0000000210847067)·Wouters, Merridee A. [Univ. of New South Wales, Kensington, NSW (Australia)] (ORCID:000000022121912X)·Yuen, Denis [Ontario Institute for Cancer Research, Toronto, ON (Canada)] (ORCID:0000000261301021)·Goble, Carole [Univ. of Manchester (United Kingdom)] (ORCID:0000000312192137)
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Abstract

Recent trends within computational and data sciences show an increasing recognition and adoption of computational workflows as tools for productivity and reproducibility that also democratize access to platforms and processing know-how. As digital objects to be shared, discovered, and reused, computational workflows benefit from the FAIR principles, which stand for Findable, Accessible, Interoperable, and Reusable. The Workflows Community Initiative’s FAIR Workflows Working Group (WCI-FW), a global and open community of researchers and developers working with computational workflows across disciplines and domains, has systematically addressed the application of both FAIR data and software principles to computational workflows. We present recommendations with commentary that reflects our discussions and justifies our choices and adaptations. These are offered to workflow users and authors, workflow management system developers, and providers of workflow services as guidelines for adoption and fodder for discussion. The FAIR recommendations for workflows that we propose in this paper will maximize their value as research assets and facilitate their adoption by the wider community.

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Wilkinson, Sean R. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)] (ORCID:0000000214437479), Aloqalaa, Meznah [Univ. of Manchester (United Kingdom)] (ORCID:0000000213823896), Belhajjame, Khalid [Paris Dauphine University (France)] (ORCID:0000000169380820), Crusoe, Michael R. [Zuse Institute Berlin (ZIB) (Germany)] (ORCID:0000000229619670), de Paula Kinoshita, Bruno [Barcelona Supercomputing Center (Spain)] (ORCID:0000000182504074), Gadelha, Luiz [German Cancer Research Center (DKFZ), Heidelberg (Germany)] (ORCID:0000000281229522), Garijo, Daniel [Universidad Politécnica de Madrid (Spain)] (ORCID:0000000304547145), Gustafsson, Ove Ragnar [Univ. of Melbourne, VIC (Australia)] (ORCID:0000000229775032), Juty, Nick [Univ. of Manchester (United Kingdom)] (ORCID:0000000220368350), Kanwal, Sehrish [University of Melbourne Centre for Cancer Research (UMCCR), Parkville, VIC (Australia)] (ORCID:0000000250444692), Khan, Farah Zaib [Univ. of Melbourne, VIC (Australia)] (ORCID:0000000263373037), Köster, Johannes [University of Duisburg-Essen (Germany)] (ORCID:0000000198189320), Peters-von Gehlen, Karsten [Deutsches Klimarechenzentrum GmbH, Hamburg (Germany)] (ORCID:0000000301582957), Pouchard, Line Catherine [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)] (ORCID:0000000221206521), Rannow, Randy K. [Silverdraft Supercomputing, Boise, ID (United States)] (ORCID:0009000574066170), Soiland-Reyes, Stian [Univ. of Manchester (United Kingdom); Univ. of Amsterdam (Netherlands)] (ORCID:0000000198429718), Soranzo, Nicola [Earlham Institute, Norwich (United Kingdom)] (ORCID:0000000336275340), Sufi, Shoaib [Univ. of Manchester (United Kingdom)] (ORCID:0000000163902616), Sun, Ziheng [George Mason Univ., Fairfax, VA (United States)] (ORCID:0000000198100023), Vilne, Baiba [Riga Stradins University (Latvia)] (ORCID:0000000210847067), Wouters, Merridee A. [Univ. of New South Wales, Kensington, NSW (Australia)] (ORCID:000000022121912X), Yuen, Denis [Ontario Institute for Cancer Research, Toronto, ON (Canada)] (ORCID:0000000261301021), Goble, Carole [Univ. of Manchester (United Kingdom)] (ORCID:0000000312192137). 2025-02-24. Applying the FAIR Principles to computational workflows. https://doi.org/10.1038/s41597-025-04451-9

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