Repositories list

• gsd

  Public
  Read and write GSD files for use with HOOMD-blue.

  pythonbinaryfile-format+ 2hoomdgsd

  Python

  •

  BSD 2-Clause "Simplified" License

  •9•27•1•0•Updated Aug 7, 2025Aug 7, 2025

• hoomd-blue

  Public
  Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

  pythoncudamolecular-dynamics+ 9monte-carlo-simulationparticle-systemhard-particledockersimulationgpusingularity+ 2

  C++

  •

  BSD 3-Clause "New" or "Revised" License

  •150•388•10•2•Updated Aug 7, 2025Aug 7, 2025

• jetstream2-admin

  Public
  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •0•0•0•0•Updated Aug 7, 2025Aug 7, 2025

• signac-dashboard

  Public
  Rapidly visualize signac projects through a customizable dashboard interface.

  visualizationflaskdata+ 3dashboardanalysissignac

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •6•15•19•2•Updated Aug 7, 2025Aug 7, 2025

• fresnel

  Public
  Publication quality path tracing in real time.

  pythonsimulationcuda+ 3soft-matteroptixpath-tracing

  C++

  •

  BSD 3-Clause "New" or "Revised" License

  •7•124•7•0•Updated Aug 7, 2025Aug 7, 2025

• row

  Public
  Row is a command line tool that helps you manage workflows on HPC resources.

  rustworkflowhpc+ 2slurmbatch

  Rust

  •

  BSD 3-Clause "New" or "Revised" License

  •1•13•0•0•Updated Aug 7, 2025Aug 7, 2025

• signac

  Public
  Manage large and heterogeneous data spaces on the file system.

  datadatabasedata-management+ 1reproducibility

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •37•133•9•1•Updated Aug 7, 2025Aug 7, 2025

• freud

  Public
  Powerful, efficient particle trajectory analysis in scientific Python.

  pythonscienceanalysis+ 8molecular-dynamicscomputational-chemistryscientific-computingcomputational-physicsdata-analysismonte-carlo-simulationspatial-analysis+ 1

  C++

  •

  BSD 3-Clause "New" or "Revised" License

  •52•300•37•4•Updated Aug 7, 2025Aug 7, 2025

• coxeter

  Public
  Collection of tools to help initialize and manipulate geometries in two and three dimensions.

  shapesgeometryphysics+ 3computational-geometrypolygonspolyhedra

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •5•23•12•1•Updated Aug 7, 2025Aug 7, 2025

• workflows

  Public
  House commonly used GitHub actions and workflows.

  Shell

  •

  BSD 3-Clause "New" or "Revised" License

  •0•0•0•2•Updated Aug 7, 2025Aug 7, 2025

• software

  Public
  Conda recipes for Glotzer Lab software on HPC resources

  Shell

  •

  Other

  •6•11•0•0•Updated Aug 1, 2025Aug 1, 2025

• signac-flow

  Public archive
  Workflow management for signac-managed data spaces.

  pythonworkflowsignac

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •38•48•51•0•Updated Jul 31, 2025Jul 31, 2025

• rowan

  Public
  A Python package for working with quaternions.

  Python

  •

  Other

  •8•29•2•2•Updated Jul 24, 2025Jul 24, 2025

• hipper

  Public
  A GPU runtime compatibility layer for CUDA and HIP

  C++

  •

  BSD 3-Clause "New" or "Revised" License

  •3•0•0•0•Updated Jul 17, 2025Jul 17, 2025

• hipCUB

  Public
  Reusable software components for rocm developers

  C++

  •

  Other

  •48•0•0•0•Updated Jul 17, 2025Jul 17, 2025

• HIP

  Public
  HIP : Convert CUDA to Portable C++ Code

  C++

  •

  MIT License

  •571•0•0•0•Updated Jul 17, 2025Jul 17, 2025

• parsnip

  Public
  Minimal library for parsing CIF files in Python.

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •0•2•2•0•Updated Jul 16, 2025Jul 16, 2025

• dupin

  Public
  Package for detecting rare events in molecular simulations.

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •1•5•1•2•Updated Jul 8, 2025Jul 8, 2025

• hoomd-benchmarks

  Public
  A collection of benchmarks for HOOMD-blue

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •1•7•0•0•Updated Jul 8, 2025Jul 8, 2025

• ovito-scripts

  Public
  A collection of scripts for pairing OVITO with freud and other Glotzer lab packages

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •3•15•2•0•Updated Jul 8, 2025Jul 8, 2025

• hoomd-examples

  Public
  HOOMD-blue example scripts.

  pythontutorialjupyter+ 6simulationmolecular-dynamicsmonte-carlo-simulationparticle-systemhard-particlehoomd-blue

  Jupyter Notebook

  •

  BSD 3-Clause "New" or "Revised" License

  •13•36•6•0•Updated Jul 8, 2025Jul 8, 2025

• signac-examples

  Public
  Examples for the signac framework.

  Jupyter Notebook

  •

  BSD 3-Clause "New" or "Revised" License

  •8•15•7•1•Updated Jul 7, 2025Jul 7, 2025

• signac-docs

  Public
  Documentation for the signac framework.

  BSD 3-Clause "New" or "Revised" License

  •19•8•30•0•Updated Jul 7, 2025Jul 7, 2025

• freud-examples

  Public
  Examples for the freud library.

  analysissimulationmolecular-dynamics+ 3materials-sciencefreudglotzer

  Jupyter Notebook

  •

  BSD 3-Clause "New" or "Revised" License

  •6•14•2•3•Updated Jul 7, 2025Jul 7, 2025

• hpmc-energy-template

  Public
  Template repository for HPMC pair and/or external energy evaluators.

  C++

  •

  BSD 3-Clause "New" or "Revised" License

  •15•0•0•0•Updated Jun 26, 2025Jun 26, 2025

• hoomd-hpmc-shape-template

  Public
  Template repository for HOOMD-blue C++ components.

  C++

  •

  BSD 3-Clause "New" or "Revised" License

  •15•0•0•0•Updated Jun 26, 2025Jun 26, 2025

• hoomd-md-pair-template

  Public
  Template repository for HOOMD-blue C++ components.

  C++

  •

  BSD 3-Clause "New" or "Revised" License

  •15•2•0•0•Updated Jun 26, 2025Jun 26, 2025

• hoomd-component-template

  Public
  Template repository for HOOMD-blue C++ components.

  CMake

  •

  BSD 3-Clause "New" or "Revised" License

  •15•2•0•0•Updated Jun 26, 2025Jun 26, 2025

• xchimes

  Public
  Jupyter Notebook

  •

  BSD 3-Clause "New" or "Revised" License

  •0•1•0•0•Updated Jun 11, 2025Jun 11, 2025

• hoomd-validation

  Public
  Longer Running Validation Tests for HOOMD-blue

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •1•3•0•0•Updated Jun 5, 2025Jun 5, 2025