Repositories list

• coxeter

  Public
  Collection of tools to help initialize and manipulate shapes.

  shapesgeometryphysics+ 3computational-geometrypolygonspolyhedra

  Python

  •

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

  •5•23•11•4•Updated Mar 26, 2025Mar 26, 2025

• parsnip

  Public
  Minimal library for parsing CIF files in Python.

  Python

  •

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

  •0•2•2•1•Updated Mar 24, 2025Mar 24, 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

  •138•365•13•3•Updated Mar 20, 2025Mar 20, 2025

• software

  Public
  Conda recipes for Glotzer Lab software on HPC resources

  Shell

  •

  Other

  •6•11•0•0•Updated Mar 19, 2025Mar 19, 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

  •15•36•8•1•Updated Mar 19, 2025Mar 19, 2025

• workflows

  Public
  House commonly used GitHub actions and workflows.

  Shell

  •

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

  •0•0•0•0•Updated Mar 12, 2025Mar 12, 2025

• hpmc-energy-template

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

  C++

  •

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

  •12•0•0•0•Updated Mar 12, 2025Mar 12, 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

  •50•290•36•5•Updated Mar 11, 2025Mar 11, 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 Mar 10, 2025Mar 10, 2025

• signac

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

  datadatabasedata-management+ 1reproducibility

  Python

  •

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

  •36•132•9•2•Updated Mar 10, 2025Mar 10, 2025

• hipCUB

  Public
  Reusable software components for rocm developers

  C++

  •

  Other

  •44•0•0•0•Updated Mar 10, 2025Mar 10, 2025

• gsd

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

  pythonbinaryfile-format+ 2hoomdgsd

  Python

  •

  BSD 2-Clause "Simplified" License

  •9•25•0•0•Updated Mar 4, 2025Mar 4, 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

  •0•12•4•0•Updated Mar 4, 2025Mar 4, 2025

• fresnel

  Public
  Publication quality path tracing in real time.

  pythonsimulationcuda+ 3soft-matteroptixpath-tracing

  C++

  •

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

  •8•117•6•0•Updated Mar 3, 2025Mar 3, 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 Mar 3, 2025Mar 3, 2025

• rowan

  Public
  A Python package for working with quaternions.

  Python

  •

  Other

  •9•19•2•1•Updated Mar 3, 2025Mar 3, 2025

• signac-dashboard

  Public
  Rapidly visualize signac projects through a customizable dashboard interface.

  visualizationflaskdata+ 3dashboardanalysissignac

  Python

  •

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

  •6•16•19•2•Updated Mar 3, 2025Mar 3, 2025

• signac-flow

  Public
  Workflow management for signac-managed data spaces.

  pythonworkflowsignac

  Python

  •

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

  •37•48•51•3•Updated Mar 3, 2025Mar 3, 2025

• synced_collections

  Public
  Add transparent file synchronization to standard Python collections

  Python

  •

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

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

• jetstream2-admin

  Public
  Python

  •

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

  •0•0•0•0•Updated Mar 3, 2025Mar 3, 2025

• hoomd-benchmarks

  Public
  A collection of benchmarks for HOOMD-blue

  Python

  •

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

  •1•8•0•0•Updated Mar 3, 2025Mar 3, 2025

• hoomd-md-pair-template

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

  C++

  •

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

  •12•2•0•0•Updated Feb 21, 2025Feb 21, 2025

• hoomd-hpmc-shape-template

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

  C++

  •

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

  •12•0•0•0•Updated Feb 21, 2025Feb 21, 2025

• hoomd-component-template

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

  CMake

  •

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

  •12•2•0•0•Updated Feb 21, 2025Feb 21, 2025

• dupin

  Public
  Package for detecting rare events in molecular simulations.

  Python

  •

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

  •1•5•1•2•Updated Feb 19, 2025Feb 19, 2025

• signac-examples

  Public
  Examples for the signac framework.

  Jupyter Notebook

  •

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

  •8•16•7•1•Updated Feb 3, 2025Feb 3, 2025

• hoomd-validation

  Public
  Longer Running Validation Tests for HOOMD-blue

  Python

  •

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

  •0•3•0•0•Updated Feb 3, 2025Feb 3, 2025

• signac-docs

  Public
  Documentation for the signac framework.

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

  •19•8•30•0•Updated Jan 31, 2025Jan 31, 2025

• signac-benchmarks

  Public
  Benchmarks for the core signac application.

  Python

  •

  MIT License

  •0•0•0•0•Updated Jan 31, 2025Jan 31, 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

  •4•13•2•0•Updated Jan 31, 2025Jan 31, 2025