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Making Canonical Workflow Building Blocks Interoperable across Workflow Languages

Authors: Stian Soiland-Reyes; Genís Bayarri; Pau Andrio; Robin Long; Douglas Lowe; Ania Niewielska; Adam Hospital; +1 Authors

Making Canonical Workflow Building Blocks Interoperable across Workflow Languages

Abstract

AbstractWe introduce the concept of Canonical Workflow Building Blocks (CWBB), a methodology of describing and wrapping computational tools, in order for them to be utilised in a reproducible manner from multiple workflow languages and execution platforms. The concept is implemented and demonstrated with the BioExcel Building Blocks library (BioBB), a collection of tool wrappers in the field of computational biomolecular simulation. Interoperability across different workflow languages is showcased through a protein Molecular Dynamics setup transversal workflow, built using this library and run with 5 different Workflow Manager Systems (WfMS). We argue such practice is a necessary requirement for FAIR Computational Workflows and an element of Canonical Workflow Frameworks for Research (CWFR) in order to improve widespread adoption and reuse of computational methods across workflow language barriers.

Countries
Spain, Spain, United Kingdom, United Kingdom, United Kingdom, Netherlands
Keywords

:Informàtica::Aplicacions de la informàtica::Bioinformàtica [Àrees temàtiques de la UPC], Programari, Bioinformatics, FAIR digital object (FDO), BioExcel Building Blocks library (BioBB), Canonical Workflow Frameworks for Research (CWFR), Execution platforms, Workflow management systems, Workflow languages, Research software, BioExcel Building Blocks library (BioBB), Containers, Reproducibility, 004, Canonical Workflow Frameworks for Research (CWFR), Interoperable, Scientific workflows, Àrees temàtiques de la UPC::Informàtica::Aplicacions de la informàtica::Bioinformàtica, Simulació per ordinador, FAIR digital object (FDO), Software packaging, Computational tools, FAIR

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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OpenAIRE UsageCountsViews provided by UsageCounts
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