Repositories list

• spatula

  Public
  Python package for calculation of symmetry based order parameters in molecular simulation systems.

  Python

  •

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

  •0•3•2•4•Updated Mar 15, 2026Mar 15, 2026

• gsd

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

  pythonbinaryfile-format+ 2

  pythonbinaryfile-formathoomdgsd

  Python

  •

  BSD 2-Clause "Simplified" License

  •10•30•1•2•Updated Mar 15, 2026Mar 15, 2026

• hoomd-component-template

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

  CMake

  •

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

  •16•1•1•1•Updated Mar 15, 2026Mar 15, 2026

• freud

  Public
  Powerful, efficient particle trajectory analysis in scientific Python.

  pythonscienceanalysis+ 8

  pythonscienceanalysismolecular-dynamicscomputational-chemistryscientific-computingcomputational-physicsdata-analysismonte-carlo-simulationspatial-analysis+ 1

  C++

  •

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

  •52•316•10•3•Updated Mar 15, 2026Mar 15, 2026

• hoomd-blue

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

  pythondockersimulation+ 9

  pythondockersimulationgpucudamolecular-dynamicssingularitymonte-carlo-simulationparticle-systemconda-forge+ 2

  C++

  •

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

  •160•421•16•3•Updated Mar 13, 2026Mar 13, 2026

• parsnip

  Public
  Lightweight, performant library for parsing CIF files in Python.

  Python

  •

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

  •0•3•4•3•Updated Mar 13, 2026Mar 13, 2026

• signac

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

  datadatabasedata-management+ 1

  datadatabasedata-managementreproducibility

  Python

  •

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

  •36•141•10•1•Updated Mar 13, 2026Mar 13, 2026

• jetstream2-admin

  Public
  Python

  •

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

  •0•0•1•0•Updated Mar 13, 2026Mar 13, 2026

• row

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

  rustworkflowhpc+ 2

  rustworkflowhpcslurmbatch

  Rust

  •

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

  •1•16•1•0•Updated Mar 13, 2026Mar 13, 2026

• signac-dashboard

  Public
  Rapidly visualize signac projects through a customizable dashboard interface.

  visualizationflaskdata+ 3

  visualizationflaskdatadashboardanalysissignac

  Python

  •

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

  •6•16•20•4•Updated Mar 13, 2026Mar 13, 2026

• signac-examples

  Public
  Examples for the signac framework.

  Jupyter Notebook

  •

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

  •7•15•8•2•Updated Mar 13, 2026Mar 13, 2026

• workflows

  Public
  House commonly used GitHub actions and workflows.

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

  •0•0•1•0•Updated Mar 13, 2026Mar 13, 2026

• hoomd-benchmarks

  Public
  A collection of benchmarks for HOOMD-blue

  Python

  •

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

  •1•9•1•0•Updated Mar 12, 2026Mar 12, 2026

• dupin

  Public
  Package for detecting rare events in molecular simulations.

  Python

  •

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

  •1•6•1•0•Updated Mar 12, 2026Mar 12, 2026

• fresnel

  Public
  Publication quality path tracing in real time.

  pythonsimulationcuda+ 3

  pythonsimulationcudasoft-matteroptixpath-tracing

  C++

  •

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

  •7•126•1•0•Updated Mar 12, 2026Mar 12, 2026

• freud-examples

  Public
  Examples for the freud library.

  analysissimulationmolecular-dynamics+ 3

  analysissimulationmolecular-dynamicsmaterials-sciencefreudglotzer

  Jupyter Notebook

  •

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

  •6•14•4•2•Updated Mar 12, 2026Mar 12, 2026

• coxeter

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

  shapesgeometryphysics+ 3

  shapesgeometryphysicscomputational-geometrypolygonspolyhedra

  Python

  •

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

  •5•24•11•2•Updated Mar 12, 2026Mar 12, 2026

• signac-docs

  Public
  Documentation for the signac framework.

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

  •20•8•31•0•Updated Mar 12, 2026Mar 12, 2026

• hoomd-validation

  Public
  Longer Running Validation Tests for HOOMD-blue

  Python

  •

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

  •1•3•1•0•Updated Mar 12, 2026Mar 12, 2026

• rowan

  Public
  A Python package for working with quaternions.

  Python

  •

  Other

  •8•30•2•3•Updated Mar 12, 2026Mar 12, 2026

• hoomd-examples

  Public
  HOOMD-blue example scripts.

  pythontutorialjupyter+ 6

  pythontutorialjupytersimulationmolecular-dynamicsmonte-carlo-simulationparticle-systemhard-particlehoomd-blue

  Jupyter Notebook

  •

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

  •13•38•7•1•Updated Feb 26, 2026Feb 26, 2026

• software

  Public
  Conda recipes for Glotzer Lab software on HPC resources

  Shell

  •

  Other

  •5•12•1•0•Updated Feb 17, 2026Feb 17, 2026

• 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•16•3•0•Updated Feb 9, 2026Feb 9, 2026

• hoomd-hpmc-shape-template

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

  C++

  •

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

  •16•0•0•0•Updated Feb 9, 2026Feb 9, 2026

• hpmc-energy-template

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

  C++

  •

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

  •16•0•0•1•Updated Feb 9, 2026Feb 9, 2026

• hoomd-md-pair-template

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

  CMake

  •

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

  •16•2•0•0•Updated Feb 9, 2026Feb 9, 2026

• synced_collections

  Public
  Add transparent file synchronization to standard Python collections

  Python

  •

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

  •1•5•1•0•Updated Jan 19, 2026Jan 19, 2026

• fresnel-examples

  Public
  Example notebooks for fresnel

  Jupyter Notebook

  •

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

  •4•6•0•0•Updated Jan 19, 2026Jan 19, 2026

• fix-license-header

  Public
  Python

  •

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

  •0•3•0•0•Updated Jan 19, 2026Jan 19, 2026

• fsph

  Public
  Library to quickly compute series of complex spherical harmonics.

  C++

  •

  MIT License

  •0•3•2•1•Updated Dec 6, 2025Dec 6, 2025