Glotzer Group

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65 repositories

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•1•Updated Oct 31, 2025Oct 31, 2025
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 Oct 30, 2025Oct 30, 2025
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•2•2•Updated Oct 30, 2025Oct 30, 2025
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•14•1•2•Updated Oct 30, 2025Oct 30, 2025
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
•9•27•1•0•Updated Oct 30, 2025Oct 30, 2025
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
•37•135•10•1•Updated Oct 30, 2025Oct 30, 2025
fresnel
Public
Publication quality path tracing in real time.
python simulation cuda soft-matter optix path-tracing
C++
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BSD 3-Clause "New" or "Revised" License
•7•123•1•0•Updated Oct 30, 2025Oct 30, 2025
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 Oct 30, 2025Oct 30, 2025
jetstream2-admin
Public
Python
•
BSD 3-Clause "New" or "Revised" License
•0•0•1•0•Updated Oct 30, 2025Oct 30, 2025
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 Oct 30, 2025Oct 30, 2025
rowan
Public
A Python package for working with quaternions.
Python
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Other
•8•29•2•3•Updated Oct 30, 2025Oct 30, 2025
coxeter
Public
Collection of tools to help initialize and manipulate geometries in two and three dimensions.
shapes geometry physics computational-geometry polygons polyhedra
Python
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BSD 3-Clause "New" or "Revised" License
•5•23•11•1•Updated Oct 30, 2025Oct 30, 2025
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
•153•398•14•5•Updated Oct 30, 2025Oct 30, 2025
dupin
Public
Package for detecting rare events in molecular simulations.
Python
•
BSD 3-Clause "New" or "Revised" License
•1•6•1•0•Updated Oct 30, 2025Oct 30, 2025
hoomd-validation
Public
Longer Running Validation Tests for HOOMD-blue
Python
•
BSD 3-Clause "New" or "Revised" License
•1•3•1•0•Updated Oct 30, 2025Oct 30, 2025
signac-docs
Public
Documentation for the signac framework.
BSD 3-Clause "New" or "Revised" License
•19•8•31•0•Updated Oct 30, 2025Oct 30, 2025
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++
•
BSD 3-Clause "New" or "Revised" License
•52•304•10•1•Updated Oct 27, 2025Oct 27, 2025
workflows
Public
House commonly used GitHub actions and workflows.
BSD 3-Clause "New" or "Revised" License
•0•0•1•0•Updated Oct 26, 2025Oct 26, 2025
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•2•Updated Oct 25, 2025Oct 25, 2025
hoomd-component-template
Public
Template repository for HOOMD-blue C++ components.
C++
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BSD 3-Clause "New" or "Revised" License
•16•1•1•1•Updated Oct 23, 2025Oct 23, 2025
signac-examples
Public
Examples for the signac framework.
Jupyter Notebook
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BSD 3-Clause "New" or "Revised" License
•8•15•8•2•Updated Oct 19, 2025Oct 19, 2025
software
Public
Conda recipes for Glotzer Lab software on HPC resources
Shell
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Other
•6•11•1•0•Updated Oct 3, 2025Oct 3, 2025
renovate-config
Public
Common Renovate configuration for glotzerlab.
0•0•0•0•Updated Oct 2, 2025Oct 2, 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 Sep 27, 2025Sep 27, 2025
hoomd-md-pair-template
Public
Template repository for HOOMD-blue C++ components.
C++
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BSD 3-Clause "New" or "Revised" License
•16•2•0•0•Updated Sep 27, 2025Sep 27, 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•0•Updated Sep 27, 2025Sep 27, 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 Sep 23, 2025Sep 23, 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
hipper
Public
A GPU runtime compatibility layer for CUDA and HIP
C++
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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++
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Other
•47•0•0•0•Updated Jul 17, 2025Jul 17, 2025