Glotzer Group

All

65 repositories

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
•155•402•13•2•Updated Nov 24, 2025Nov 24, 2025
spatula
Public
Python package for calculation of symmetry based order parameters in molecular simulation systems.
Python
•
BSD 3-Clause "New" or "Revised" License
•0•2•2•4•Updated Nov 24, 2025Nov 24, 2025
hoomd-benchmarks
Public
A collection of benchmarks for HOOMD-blue
Python
•
BSD 3-Clause "New" or "Revised" License
•1•9•1•1•Updated Nov 22, 2025Nov 22, 2025
signac-examples
Public
Examples for the signac framework.
Jupyter Notebook
•
BSD 3-Clause "New" or "Revised" License
•8•15•8•2•Updated Nov 22, 2025Nov 22, 2025
signac
Public
Manage large and heterogeneous data spaces on the file system.
data database data-management reproducibility
Python
•
BSD 3-Clause "New" or "Revised" License
•37•136•10•1•Updated Nov 22, 2025Nov 22, 2025
parsnip
Public
Lightweight, performant library for parsing CIF files in Python.
Python
•
BSD 3-Clause "New" or "Revised" License
•0•2•3•1•Updated Nov 22, 2025Nov 22, 2025
hoomd-component-template
Public
Template repository for HOOMD-blue C++ components.
C++
•
BSD 3-Clause "New" or "Revised" License
•16•1•1•1•Updated Nov 22, 2025Nov 22, 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•307•10•2•Updated Nov 21, 2025Nov 21, 2025
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•123•1•0•Updated Nov 21, 2025Nov 21, 2025
rowan
Public
A Python package for working with quaternions.
Python
•
Other
•8•29•2•3•Updated Nov 21, 2025Nov 21, 2025
signac-docs
Public
Documentation for the signac framework.
BSD 3-Clause "New" or "Revised" License
•19•8•31•0•Updated Nov 21, 2025Nov 21, 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
•
BSD 3-Clause "New" or "Revised" License
•13•38•7•1•Updated Nov 21, 2025Nov 21, 2025
dupin
Public
Package for detecting rare events in molecular simulations.
Python
•
BSD 3-Clause "New" or "Revised" License
•1•6•1•0•Updated Nov 21, 2025Nov 21, 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
•3•15•3•0•Updated Nov 21, 2025Nov 21, 2025
row
Public
Row is a command line tool that helps you manage workflows on HPC resources.
rust workflow hpc slurm batch
Rust
•
BSD 3-Clause "New" or "Revised" License
•1•15•1•0•Updated Nov 21, 2025Nov 21, 2025
gsd
Public
Read and write GSD files for use with HOOMD-blue.
python binary file-format hoomd gsd
Python
•
BSD 2-Clause "Simplified" License
•9•27•1•0•Updated Nov 21, 2025Nov 21, 2025
hoomd-validation
Public
Longer Running Validation Tests for HOOMD-blue
Python
•
BSD 3-Clause "New" or "Revised" License
•1•3•1•0•Updated Nov 21, 2025Nov 21, 2025
freud-examples
Public
Examples for the freud library.
analysis simulation molecular-dynamics materials-science freud glotzer
Jupyter Notebook
•
BSD 3-Clause "New" or "Revised" License
•6•14•4•2•Updated Nov 21, 2025Nov 21, 2025
software
Public
Conda recipes for Glotzer Lab software on HPC resources
Shell
•
Other
•6•11•1•0•Updated Nov 21, 2025Nov 21, 2025
signac-dashboard
Public
Rapidly visualize signac projects through a customizable dashboard interface.
visualization flask data dashboard analysis signac
Python
•
BSD 3-Clause "New" or "Revised" License
•6•16•20•2•Updated Nov 21, 2025Nov 21, 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
•
BSD 3-Clause "New" or "Revised" License
•5•23•11•1•Updated Nov 21, 2025Nov 21, 2025
jetstream2-admin
Public
Python
•
BSD 3-Clause "New" or "Revised" License
•0•0•1•0•Updated Nov 21, 2025Nov 21, 2025
workflows
Public
House commonly used GitHub actions and workflows.
BSD 3-Clause "New" or "Revised" License
•0•0•1•0•Updated Nov 21, 2025Nov 21, 2025
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 Nov 6, 2025Nov 6, 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++
•
BSD 3-Clause "New" or "Revised" License
•16•2•0•0•Updated Sep 27, 2025Sep 27, 2025
signac-flow
Public archive
Workflow management for signac-managed data spaces.
python workflow signac
Python
•
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++
•
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++
•
Other
•47•0•0•0•Updated Jul 17, 2025Jul 17, 2025