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141 Stars 56 Forks BSD 3-Clause "New" or "Revised" License 14.8K Commits 149 Opened issues


Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

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Citing HOOMD conda-forge conda-forge Downloads Azure Pipelines Read the Docs Contributors License

HOOMD-blue is a general purpose particle simulation toolkit. It performs hard particle Monte Carlo simulations of a variety of shape classes, and molecular dynamics simulations of particles with a range of pair, bond, angle, and other potentials. HOOMD-blue runs fast on NVIDIA GPUs, and can scale across thousands of nodes. For more information, see the HOOMD-blue website.



HOOMD-blue binaries are available in the glotzerlab-software Docker/Singularity images and for Linux and macOS via the hoomd package on conda-forge. See the Installation Guide for instructions on installing HOOMD-blue or compiling from source.

Job scripts

HOOMD-blue job scripts are Python scripts. You can control system initialization, run protocols, analyze simulation data, or develop complex workflows all with Python code in your job.

Change log


Contributing to HOOMD-blue

Contributions are welcomed via pull requests. Please report bugs and suggest feature enhancements via the issue tracker. See for more information.

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