What you will learn
Our approach for community software development and an introduction to data and workflow management tools. Reproducible workflows are achieved with the open-source signac software framework for managing large and heterogeneous data spaces (signac itself is agnostic to the data source). The generation of simulation data is performed with the HOOMD-Blue simulation package, and analysis is performed with the freud package. All tools provide a Python application programming interface (API), allowing researchers to manage their projects — including selection of the data space, the simulations, analysis, and data visualization — all in a handful of python scripts managed in source control.