Alexandra Simperler

By Sarah Gibson, Anna Krystalli, Arshad Emmambux, Alexandra Simperler, Tom Russell, and Doug Lowe Like history, reproducible data processing is just one, um, thing after another. When the number of tools, models or steps in a process grows beyond a handful, we start to feel the need for some automation or structure. Running the same sequence of tools over multiple data? Capturing the steps of an analysis for collaborators or students to repeat, modify and extend? Conducting a scenario analysis using coupled models? Workflow, pipeline and model coupling tools all respond to the need for…

By Alexandra Simperler, Institute Fellow 2014 and NSCCS, Imperial College, and Katalin Phimister, Computational Chemist, UK.

In today's fast moving world, the number of electronic tools, programs and applications are ever increasing. People see them as a black box something that just works. They overlook the coding, configuration and setup that has been done by a team of developers. Does this prevent people from being proficient and effective users of the software? We want to start a discussion on this point by outlining some scenarios from our…

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