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    70 repositories

    • hoomd-blue

      Public
      Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
      pythondockersimulation
      pythondockersimulationgpucudamolecular-dynamicssingularitymonte-carlo-simulationparticle-systemconda-forge
      C++
      •
      BSD 3-Clause "New" or "Revised" License
      •168•436•15•3•Updated Jun 16, 2026Jun 16, 2026

    • hoomd-rs

      Public
      Molecular dynamics and Monte Carlo soft matter simulation in Rust.
      Rust
      •
      BSD 3-Clause "New" or "Revised" License
      •2•16•17•9•Updated Jun 16, 2026Jun 16, 2026

    • row

      Public
      Row is a command line tool that helps you manage workflows on HPC resources.
      rustworkflowhpc
      rustworkflowhpcslurmbatch
      Rust
      •
      BSD 3-Clause "New" or "Revised" License
      •1•17•1•0•Updated Jun 15, 2026Jun 15, 2026

    • hoomd-benchmarks

      Public
      A collection of benchmarks for HOOMD-blue
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •1•9•1•0•Updated Jun 15, 2026Jun 15, 2026

    • coxeter

      Public
      Collection of tools to help initialize and manipulate geometries in two and three dimensions.
      shapesgeometryphysics
      shapesgeometryphysicscomputational-geometrypolygonspolyhedra
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •5•24•11•3•Updated Jun 15, 2026Jun 15, 2026

    • parsnip

      Public
      Lightweight, performant library for parsing CIF files in Python.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •3•4•3•3•Updated Jun 15, 2026Jun 15, 2026

    • 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•3•Updated Jun 15, 2026Jun 15, 2026

    • freud

      Public
      Powerful, efficient particle trajectory analysis in scientific Python.
      pythonscienceanalysis
      pythonscienceanalysismolecular-dynamicscomputational-chemistryscientific-computingcomputational-physicsdata-analysismonte-carlo-simulationspatial-analysis
      C++
      •
      BSD 3-Clause "New" or "Revised" License
      •52•322•10•2•Updated Jun 15, 2026Jun 15, 2026

    • hoomd-workflow

      Public template
      Template workflow using hoomd-rs and row.
      Rust
      •
      BSD 3-Clause "New" or "Revised" License
      •0•3•2•0•Updated Jun 15, 2026Jun 15, 2026

    • gsd

      Public
      Read and write GSD files for use with HOOMD-blue.
      pythonbinaryfile-format
      pythonbinaryfile-formathoomdgsd
      Python
      •
      BSD 2-Clause "Simplified" License
      •10•31•1•0•Updated Jun 15, 2026Jun 15, 2026

    • jetstream2-admin

      Public
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•1•0•Updated Jun 15, 2026Jun 15, 2026

    • fresnel

      Public
      Publication quality path tracing in real time.
      pythonsimulationcuda
      pythonsimulationcudasoft-matteroptixpath-tracing
      C++
      •
      BSD 3-Clause "New" or "Revised" License
      •7•128•1•0•Updated Jun 12, 2026Jun 12, 2026

    • signac

      Public
      Manage large and heterogeneous data spaces on the file system.
      datadatabasedata-management
      datadatabasedata-managementreproducibility
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •36•145•10•1•Updated Jun 9, 2026Jun 9, 2026

    • ScLOP

      Public
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jun 8, 2026Jun 8, 2026

    • synced_collections

      Public
      Add transparent file synchronization to standard Python collections
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •1•5•2•0•Updated Jun 8, 2026Jun 8, 2026

    • hoomd-component-template

      Public
      Template repository for HOOMD-blue C++ components.
      CMake
      •
      BSD 3-Clause "New" or "Revised" License
      •16•1•1•0•Updated Jun 8, 2026Jun 8, 2026

    • signac-dashboard

      Public
      Rapidly visualize signac projects through a customizable dashboard interface.
      visualizationflaskdata
      visualizationflaskdatadashboardanalysissignac
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •6•16•20•3•Updated Jun 8, 2026Jun 8, 2026

    • software

      Public
      Conda recipes for Glotzer Lab software on HPC resources
      Shell
      •
      Other
      •5•11•1•0•Updated Jun 8, 2026Jun 8, 2026

    • dupin

      Public
      Package for detecting rare events in molecular simulations.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •1•7•1•0•Updated Jun 8, 2026Jun 8, 2026

    • hoomd-examples

      Public
      HOOMD-blue example scripts.
      pythontutorialjupyter
      pythontutorialjupytersimulationmolecular-dynamicsmonte-carlo-simulationparticle-systemhard-particlehoomd-blue
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •12•38•7•1•Updated Jun 8, 2026Jun 8, 2026

    • signac-examples

      Public
      Examples for the signac framework.
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •7•15•8•1•Updated Jun 8, 2026Jun 8, 2026

    • rowan

      Public
      A Python package for working with quaternions.
      Python
      •
      Other
      •8•30•2•3•Updated Jun 8, 2026Jun 8, 2026

    • freud-examples

      Public
      Examples for the freud library.
      analysissimulationmolecular-dynamics
      analysissimulationmolecular-dynamicsmaterials-sciencefreudglotzer
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •6•15•4•2•Updated Jun 8, 2026Jun 8, 2026

    • hoomd-validation

      Public
      Longer Running Validation Tests for HOOMD-blue
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •1•3•1•0•Updated Jun 8, 2026Jun 8, 2026

    • signac-docs

      Public
      Documentation for the signac framework.
      BSD 3-Clause "New" or "Revised" License
      •20•8•31•0•Updated Jun 8, 2026Jun 8, 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•1•Updated Jun 8, 2026Jun 8, 2026

    • workflows

      Public
      House commonly used GitHub actions and workflows.
      BSD 3-Clause "New" or "Revised" License
      •0•0•1•0•Updated Jun 3, 2026Jun 3, 2026

    • renovate-config

      Public
      Common Renovate configuration for glotzerlab.
      0•0•0•0•Updated May 19, 2026May 19, 2026

    • HPMC-MetaD

      Public
      HPMC-MetaD algorithm implementation and a usage example
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •0•1•0•0•Updated May 12, 2026May 12, 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 Apr 9, 2026Apr 9, 2026
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