Making Canonical Workflow Building Blocks Interoperable across Workflow Languages

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