Glotzer Group

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66 repositories

spatula
Public
Python package for calculation of symmetry based order parameters in molecular simulation systems.
Python
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BSD 3-Clause "New" or "Revised" License
•0•2•3•2•Updated Jan 5, 2026Jan 5, 2026
freud
Public
Powerful, efficient particle trajectory analysis in scientific Python.
python science analysis molecular-dynamics computational-chemistry scientific-computing computational-physics data-analysis monte-carlo-simulation spatial-analysis
C++
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BSD 3-Clause "New" or "Revised" License
•52•312•9•0•Updated Jan 5, 2026Jan 5, 2026
gsd
Public
Read and write GSD files for use with HOOMD-blue.
python binary file-format hoomd gsd
Python
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BSD 2-Clause "Simplified" License
•10•27•1•1•Updated Jan 5, 2026Jan 5, 2026
signac-dashboard
Public
Rapidly visualize signac projects through a customizable dashboard interface.
visualization flask data dashboard analysis signac
Python
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BSD 3-Clause "New" or "Revised" License
•6•16•20•4•Updated Jan 5, 2026Jan 5, 2026
hoomd-blue
Public
Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
python docker simulation gpu cuda molecular-dynamics singularity monte-carlo-simulation particle-system conda-forge
C++
•
BSD 3-Clause "New" or "Revised" License
•154•412•12•3•Updated Jan 5, 2026Jan 5, 2026
hoomd-examples
Public
HOOMD-blue example scripts.
python tutorial jupyter simulation molecular-dynamics monte-carlo-simulation particle-system hard-particle hoomd-blue
Jupyter Notebook
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BSD 3-Clause "New" or "Revised" License
•13•38•7•0•Updated Jan 5, 2026Jan 5, 2026
row
Public
Row is a command line tool that helps you manage workflows on HPC resources.
rust workflow hpc slurm batch
Rust
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BSD 3-Clause "New" or "Revised" License
•1•15•1•0•Updated Jan 5, 2026Jan 5, 2026
parsnip
Public
Lightweight, performant library for parsing CIF files in Python.
Python
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BSD 3-Clause "New" or "Revised" License
•0•2•3•3•Updated Jan 2, 2026Jan 2, 2026
hoomd-component-template
Public
Template repository for HOOMD-blue C++ components.
CMake
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BSD 3-Clause "New" or "Revised" License
•16•1•1•1•Updated Jan 1, 2026Jan 1, 2026
fresnel
Public
Publication quality path tracing in real time.
python simulation cuda soft-matter optix path-tracing
C++
•
BSD 3-Clause "New" or "Revised" License
•7•124•1•0•Updated Jan 1, 2026Jan 1, 2026
dupin
Public
Package for detecting rare events in molecular simulations.
Python
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BSD 3-Clause "New" or "Revised" License
•1•6•1•0•Updated Jan 1, 2026Jan 1, 2026
rowan
Public
A Python package for working with quaternions.
Python
•
Other
•8•29•2•3•Updated Jan 1, 2026Jan 1, 2026
hoomd-benchmarks
Public
A collection of benchmarks for HOOMD-blue
Python
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BSD 3-Clause "New" or "Revised" License
•1•9•1•0•Updated Jan 1, 2026Jan 1, 2026
signac
Public
Manage large and heterogeneous data spaces on the file system.
data database data-management reproducibility
Python
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BSD 3-Clause "New" or "Revised" License
•36•137•10•1•Updated Jan 1, 2026Jan 1, 2026
coxeter
Public
Collection of tools to help initialize and manipulate geometries in two and three dimensions.
shapes geometry physics computational-geometry polygons polyhedra
Python
•
BSD 3-Clause "New" or "Revised" License
•5•23•11•3•Updated Jan 1, 2026Jan 1, 2026
freud-examples
Public
Examples for the freud library.
analysis simulation molecular-dynamics materials-science freud glotzer
Jupyter Notebook
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BSD 3-Clause "New" or "Revised" License
•6•14•4•2•Updated Jan 1, 2026Jan 1, 2026
signac-docs
Public
Documentation for the signac framework.
BSD 3-Clause "New" or "Revised" License
•19•8•31•0•Updated Jan 1, 2026Jan 1, 2026
jetstream2-admin
Public
Python
•
BSD 3-Clause "New" or "Revised" License
•0•0•1•0•Updated Jan 1, 2026Jan 1, 2026
hoomd-validation
Public
Longer Running Validation Tests for HOOMD-blue
Python
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BSD 3-Clause "New" or "Revised" License
•1•3•1•0•Updated Dec 25, 2025Dec 25, 2025
workflows
Public
House commonly used GitHub actions and workflows.
BSD 3-Clause "New" or "Revised" License
•0•0•1•0•Updated Dec 13, 2025Dec 13, 2025
hpmc-energy-template
Public
Template repository for HPMC pair and/or external energy evaluators.
C++
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BSD 3-Clause "New" or "Revised" License
•16•0•0•1•Updated Dec 8, 2025Dec 8, 2025
hoomd-md-pair-template
Public
Template repository for HOOMD-blue C++ components.
C++
•
BSD 3-Clause "New" or "Revised" License
•16•2•0•0•Updated Dec 8, 2025Dec 8, 2025
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 Dec 8, 2025Dec 8, 2025
fsph
Public
Library to quickly compute series of complex spherical harmonics.
C++
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MIT License
•0•3•2•1•Updated Dec 6, 2025Dec 6, 2025
software
Public
Conda recipes for Glotzer Lab software on HPC resources
Shell
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Other
•5•12•1•0•Updated Dec 3, 2025Dec 3, 2025
signac-examples
Public
Examples for the signac framework.
Jupyter Notebook
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BSD 3-Clause "New" or "Revised" License
•7•15•8•2•Updated Dec 2, 2025Dec 2, 2025
ovito-scripts
Public
A collection of scripts for pairing OVITO with freud and other Glotzer lab packages
Python
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BSD 3-Clause "New" or "Revised" License
•3•15•3•0•Updated Dec 2, 2025Dec 2, 2025
hybridMC-MetaD
Public
Implementation of the hybridMC-MetaD algorithm and usage examples
Jupyter Notebook
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BSD 3-Clause "New" or "Revised" License
•0•1•0•0•Updated Oct 24, 2025Oct 24, 2025
renovate-config
Public
Common Renovate configuration for glotzerlab.
0•0•0•0•Updated Oct 2, 2025Oct 2, 2025
signac-flow
Public archive
Workflow management for signac-managed data spaces.
python workflow signac
Python
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BSD 3-Clause "New" or "Revised" License
•38•48•51•0•Updated Jul 31, 2025Jul 31, 2025