Use case:
HPC simulation Workflow
using building blocks

https://mmb.irbbarcelona.org/biobb/

https://doi.org/10.5281/zenodo.5542553

Making Canonical Workflow Building Blocks interoperable across workflow languages

RO-Crate for
workflow descriptions

https://workflowhub.eu/workflows/68

https://about.workflowhub.eu/Workflow-RO-Crate/

https://pypi.org/project/galaxy2cwl/

Describing workflows
with RO-Crate

Containers

Describe workflow

Tests

Registry

Workflows

Authors and contributors

https://w3id.org/ro/crate/1.1

https://www.w3.org/TR/json-ld/

https://json-ld.org/

Credit: Marco La Rosa, Peter Sefton

https://arkisto-platform.github.io/describo/

https://arkisto-platform.github.io/tools/description/describo-online/

Making your own RO-Crate with Describo

https://doi.org/10.4225/59/5a4d9b76d79f4
https://data.research.uts.edu.au/examples/ro-crate/0.2/Victoria_Arch_pub/

FAIR is not just machine-readable!

RO-Crate for
computational tools

https://www.researchobject.org/ro-crate/1.1/provenance.html#software-used-to-create-files

Paul Groth https://orcid.org/0000-0003-0183-6910
Erich Bremer https://orcid.org/0000-0003-0223-1059
LJ Garcia Castro https://orcid.org/0000-0003-3986-0510
Karl Sebby https://orcid.org/0000-0001-6022-9825
Alexander Kanitz https://orcid.org/0000-0002-3468-0652
Ana Trisovic https://orcid.org/0000-0003-1991-0533
Gavin Kennedy https://orcid.org/0000-0003-3910-0474
Mark Graves https://orcid.org/0000-0003-3486-8193
Jasper Koehorst https://orcid.org/0000-0001-8172-8981
Simone Leo https://orcid.org/0000-0001-8271-5429
Marc Portier https://orcid.org/0000-0002-9648-6484
Paul Brack https://orcid.org/0000-0002-5432-2748
Milan Ojsteršek https://orcid.org/0000-0003-1743-8300
Bert Droesbeke https://orcid.org/0000-0003-0522-5674
Chenxu Niu https://orcid.org/0000-0002-2142-1731
Kosuke Tanabe https://orcid.org/0000-0002-9986-7223
Tomasz Miksa https://orcid.org/0000-0002-4929-7875
Marco La Rosa https://orcid.org/0000-0001-5383-6993
Cedric Decruw https://github.com/cedricdcc
Andreas Czerniak https://orcid.org/0000-0003-3883-4169
Jeremy Jay https://orcid.org/0000-0002-5761-7533
Sergio Serra https://orcid.org/0000-0002-0792-8157
Ronald Siebes https://orcid.org/0000-0001-8772-7904
Shaun de Witt https://orcid.org/0000-0003-4196-3658
Shady El Damaty https://orcid.org/0000-0002-2318-4477
Douglas Lowe https://orcid.org/0000-0002-1248-3594
Sergio Serra https://orcid.org/0000-0002-0792-8157
Xuanqi Li https://orcid.org/0000-0003-1498-6205

Peter Sefton https://orcid.org/0000-0002-3545-944X (co-chair)
Stian Soiland-Reyes https://orcid.org/0000-0001-9842-9718 (co-chair)
Eoghan Ó Carragáin https://orcid.org/0000-0001-8131-2150 (emeritus chair)
Oscar Corcho https://orcid.org/0000-0002-9260-0753
Daniel Garijo https://orcid.org/0000-0003-0454-7145
Raul Palma https://orcid.org/0000-0003-4289-4922
Frederik Coppens https://orcid.org/0000-0001-6565-5145
Carole Goble https://orcid.org/0000-0003-1219-2137
José María Fernández https://orcid.org/0000-0002-4806-5140
Kyle Chard https://orcid.org/0000-0002-7370-4805
Jose Manuel Gomez-Perez https://orcid.org/0000-0002-5491-6431
Michael R Crusoe https://orcid.org/0000-0002-2961-9670
Ignacio Eguinoa https://orcid.org/0000-0002-6190-122X
Nick Juty https://orcid.org/0000-0002-2036-8350
Kristi Holmes https://orcid.org/0000-0001-8420-5254
Jason A. Clark https://orcid.org/0000-0002-3588-6257
Salvador Capella-Gutierrez https://orcid.org/0000-0002-0309-604X
Alasdair J. G. Gray https://orcid.org/0000-0002-5711-4872
Stuart Owen https://orcid.org/0000-0003-2130-0865
Alan R Williams https://orcid.org/0000-0003-3156-2105
Giacomo Tartari https://orcid.org/0000-0003-1130-2154
Finn Bacall https://orcid.org/0000-0002-0048-3300
Thomas Thelen https://orcid.org/0000-0002-1756-2128
Hervé Ménager https://orcid.org/0000-0002-7552-1009
Laura Rodríguez-Navas https://orcid.org/0000-0003-4929-1219
Paul Walk https://orcid.org/0000-0003-1541-5631
brandon whitehead https://orcid.org/0000-0002-0337-8610
Mark Wilkinson https://orcid.org/0000-0001-6960-357X

RO-Crate Community is open for anyone to join us!

https://www.researchobject.org/ro-crate/community

RO-Crate next steps

More documentation

5 minute intro
Tutorial / training material (Carpentries-style)
Showcases of use

Ongoing:

CS3mesh4EOSC (Describo Online w/ cloud storage)
EOSC-Life (Life Science workflows)
BY-COVID (COVID-19 )
SYNTHESYS+/DiSSCO (FAIR Digital Objects to digitize museum collections)
GA4GH & ELIXIR Cloud (workflow execution)

Next round (proposals and collaborations):

Workflows as FAIR Digital Objects
Digital Twins in Biodiversity
Minimal metadata standards for Semantic Interoperability
Cross-repository integrations

Future directions

2023-07-11 Computational Workflows

By Stian Soiland-Reyes

2023-07-11 Computational Workflows

A retake on previous slides

1,614

Stian Soiland-Reyes PRO

Technical architect at eScience Lab, Dept of Computer Science, The University of Manchester. Open Source research software engineer. Interest: Linked Data, Web, provenance, annotations, Open Science, reproducible research results.