BioExcel-2 D2.7 – Final release of demonstration workflows

This deliverable presents the final release of demonstration workflows for the BioExcel-2 project, including a wrap-up of all the work done for the BioBB library, its associated workflows, and a final analysis of the milestones achieved from the initial roadmap. The current release of the BioExcel Building Blocks library is presented in the first section, underlining the FAIR development process followed, including the automatic generation of the BioBB adapters from the Python documentation. The current available modules (categories) in the library are listed. Finally, the landing website and its different sections are briefly described. The second section enumerates the final collection of demonstration workflows, with a brief description of what each workflow does, the tools used, and links to the source code and documentation. The library versatility, validated with the collection of demonstration workflows, is explained, and links to the different workflow flavours are presented in a summary table. The power of the pre-exascale demonstration workflows is presented in the fourth section, with examples of workflows successfully applied to real scientific projects (success stories). The following section focuses on the broad range of possibilities to find and execute BioExcel workflows, from local or HPC installations, to web-based interfaces. Visibility and uptake is discussed in the sixth section, listing a number of training events, webinars and scientific drafts with the presence of the library and the demonstration workflows. The final section revisits the proposed roadmap for the WP2, analysing the status of the intended milestones at the end of the project, with comments on the progress, potential issues and redefined tasks.