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WorkflowHub: a registry for computational workflows

Wilkinson, Sean

Abstract

WorkflowHub1 is a registry for computational workflows which is designed to support sharing, discovery, and reuse. As a central place where workflows from any domain may be published, WorkflowHub makes workflows easier to find, understand, and use, especially in collaborative and cross- disciplinary research. Workflows are essential tools for scientific research that capture how data are processed and how results are generated. Unfortunately, even when existing workflows are available to users, they frequently lack the proper metadata to make them Findable, Accessible, Interoperable, and Reusable (FAIR). WorkflowHub helps by providing a structured and standards- based approach to workflow registration. Its web-based in- terface walks users through a process which gathers relevant metadata and provides persistent identifiers for workflows, and an Application Programming Interface (API) is also available for advanced users. WorkflowHub supports multiple workflow management sys- tems (e.g. Nextflow, Galaxy, and Snakemake) and uses the RO- Crate format to package workflows together with metadata that describe their inputs, outputs, tools, authorship, and related publications. WorkflowHub also includes features for version tracking, grouping workflows into projects, and linking to external services like Dockstore, GitHub, LifeMonitor, and Zenodo. Users can curate workflows directly on WorkflowHub or from synced external repositories. Integrations with interna- tional standards like Bioschemas and the Global Alliance for Genomics and Health (GA4GH) Tool Registry Service make it easier to connect workflows with other tools and registries. WorkflowHub promotes the FAIR principles by turning workflows into clearly described digital objects. It supports sustainable practices in method sharing, provides a foundation for reproducible science, and encourages openness in scientific practice without requiring fully open practices. WorkflowHub is free to use and open-source, receiving contributions from a community that includes developers, infrastructure providers, and domain scientists. Its design supports long-term sustain- ability and adapts to evolving research needs. Originally developed by European research projects EOSC- Life and ELIXIR, WorkflowHub is now used across a wide range of research communities, including synthetic biology, environmental monitoring, and infectious disease analysis. Its flexible design allows it to support both domain-specific needs and general-purpose workflow sharing. As a science gateway, WorkflowHub offers a practical, standards-aligned solution to managing and sharing computational workflows in a way that supports reuse, credit, and reproducibility.

Full text

WorkflowHub: a registry for computational workflows Sean R. Wilkinson National Center for Computational Sciences Oak Ridge National Laboratory Oak Ridge, TN, USA [email protected] WorkflowHub1is a registry for computational workflows which is designed to support sharing, discovery, and reuse [1]. As a central place where workflows from any domain may be published, WorkflowHub makes workflows easier to find, understand, and use, especially in collaborative and crossdisciplinary research. Workflows are essential tools for scientific research that capture how data are processed and how results are generated. Unfortunately, even when existing workflows are available to users, they frequently lack the proper metadata to make them Findable, Accessible, Interoperable, and Reusable (FAIR) [2]. WorkflowHub helps by providing a structured and standardsbased approach to workflow registration. Its web-based interface walks users through a process which gathers relevant metadata and provides persistent identifiers for workflows, and an Application Programming Interface (API) is also available for advanced users. WorkflowHub supports multiple workflow management systems (e.g. Nextflow, Galaxy, and Snakemake) and uses the ROCrate format to package workflows together with metadata that describe their inputs, outputs, tools, authorship, and related publications. WorkflowHub also includes features for version tracking, grouping workflows into projects, and linking to external services like Dockstore, GitHub, LifeMonitor, and Zenodo. Users can curate workflows directly on WorkflowHub or from synced external repositories. Integrations with international standards like Bioschemas and the Global Alliance for Genomics and Health (GA4GH) Tool Registry Service make it easier to connect workflows with other tools and registries. WorkflowHub promotes the FAIR principles by turning workflows into clearly described digital objects. It supports sustainable practices in method sharing, provides a foundation for reproducible science, and encourages openness in scientific practice without requiring fully open practices. WorkflowHub is free to use and open-source, receiving contributions from a community that includes developers, infrastructure providers, and domain scientists. Its design supports long-term sustainability and adapts to evolving research needs. Originally developed by European research projects EOSCLife and ELIXIR, WorkflowHub is now used across a wide range of research communities, including synthetic biology, 1https://workflowhub.eu environmental monitoring, and infectious disease analysis. Its flexible design allows it to support both domain-specific needs and general-purpose workflow sharing. As a science gateway, WorkflowHub offers a practical, standards-aligned solution to managing and sharing computational workflows in a way that supports reuse, credit, and reproducibility. ACKNOWLEDGMENTS This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. REFERENCES [1] O. J. R. Gustafsson, S. R. Wilkinson, F. Bacall, S. Soiland-Reyes, S. Leo, L. Pireddu, S. Owen, N. Juty, J. Fern´ andez, T. Brown, H. M´ enager, B. Gr¨ uning, S. Capella-Gutierrez, F. Coppens, and C. Goble, “WorkflowHub: a registry for computational workflows,” Scientific Data, vol. 12, no. 1, May 2025. [Online]. Available: https://doi.org/10.1038/s41597-025-04786-3 [2] S. R. Wilkinson, M. Aloqalaa, K. Belhajjame, M. R. Crusoe, B. de Paula Kinoshita, L. Gadelha, D. Garijo, O. J. R. Gustafsson, N. Juty, S. Kanwal, F. Z. Khan, J. K¨ oster, K. Peters-von Gehlen, L. Pouchard, R. K. Rannow, S. Soiland-Reyes, N. Soranzo, S. Sufi, Z. Sun, B. Vilne, M. A. Wouters, D. Yuen, and C. Goble, “Applying the FAIR Principles to computational workflows,” Scientific Data, vol. 12, no. 1, Feb. 2025. [Online]. Available: https://doi.org/10.1038/s41597-025-04451-9