Online seminar From Quick Script to Reproducible Workflow: Small Research Software Engineering Habits, Big Impact will be organized by BioExcel on 17 February 2026.
Using a simple molecular dynamics analysis as a case study, webinar participants will learn how to go from a one-off script to an organized, reproducible collaborative project: tracking changes with git, updating the README as the workflow evolves, and handling common situations like "I found a bug, now what?" through issues and pull requests. Along the way, the session will introduce the CodeRefinery project and give a taste of other topics you can learn about in CodeRefinery workshops, such as recording software environments (for example, with conda) and automated testing.
If you run command-line tools, write small scripts in any language (for example, simple bash scripts or Python code, perhaps using BioBB), or maintain workflows and pipelines, for example, for MD analysis, attend and learn how lightweight research software engineering habits can directly support reproducible workflows, results and publications.
