Workflows IG

This BioExcel interest group is for users (and potential users) of Scientific Workflow systems for data analysis and pipe-lining of biomolecular simulation and modelling tools; in particular using Galaxy, Apache Taverna, KNIME, COMPSs and Common Workflow Language.

Covering pros and cons of these workflow systems, practical workflow design and setup, discussion in this group also covers deployment questions on HPC/cloud infrastructure, like the use of Docker or Singularity for packaging command line codes.


To receive occasional updates on workflows-related activities, feel free to sign up for the BioExcel interest group Workflows. 

Discuss workflows

Anyone can ask questions on BioExcel’s support forum ( about building workflows, deciding on workflow systems, integrating workflows with the BioExcel core tools (CPMD, HADDOCK, GROMACS), how to run workflows on computational resources (grid, cloud, HPC). Subscribe to the Workflows IG category to follow relevant discussions, contribute and post your own questions.

For a more informal approach, feel free to join the Workflows chat room on Gitter – Gitter is semi-asynchronous so you can come back later or be notified by email for replies.

Webinars and slides

Below are some of the BioExcel webinars that focus on workflows (any bold dates indicates upcoming webinars):

To be informed of upcoming BioExcel webinars, sign up for the BioExcel newsletter.

Here are some other webinars from/with our collaborators which may also be of interest to the BioExcel Workflows interest group:

BioExcel Workflow Publications

Below are some of the BioExcel publications and deliverables relating to workflows:

BioExcel workflow activities