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HOOMD-blue is a particle simulation engine designed for nano- andcolloidal-scale molecular dynamics and hard particle Monte Carlo simulations.It has been actively developed since March 2007 and available open source sinceAugust 2008. HOOMD-blue is a Python package with a high performance C++/CUDAbackend that we built from the ground up for GPU acceleration. The Pythoninterface allows users to combine HOOMD-blue with with other packages in thePython ecosystem to create simulation and analysis workflows. We employsoftware engineering practices to develop, test, maintain, and expand the code.

HOOMD-blue: A Python package for high-performance molecular dynamics and hard particle Monte Carlo simulations