Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
☆436Jun 13, 2026Updated this week
Alternatives and similar repositories for hoomd-blue
Users that are interested in hoomd-blue are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Powerful, efficient particle trajectory analysis in scientific Python.☆322Updated this week
- HOOMD-blue example scripts.☆38Jun 8, 2026Updated last week
- Workflow management for signac-managed data spaces.☆49Jul 31, 2025Updated 10 months ago
- A HOOMD-blue component for soft matter simulations.☆27Updated this week
- Read and write GSD files for use with HOOMD-blue.☆31Updated this week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Manage large and heterogeneous data spaces on the file system.☆145Updated this week
- A VMD molfile plugin reader for HOOMD-blue GSD files.☆20Apr 6, 2026Updated 2 months ago
- Publication quality path tracing in real time.☆128Updated this week
- Rapidly visualize signac projects through a customizable dashboard interface.☆16Jun 8, 2026Updated last week
- A hierarchical, component based molecule builder☆216Updated this week
- A library to generate numerical descriptions of particle systems.☆13Aug 16, 2021Updated 4 years ago
- Differentiable, Hardware Accelerated, Molecular Dynamics☆1,421Updated this week
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆33Aug 3, 2024Updated last year
- Public development project of the LAMMPS MD software package☆2,931Updated this week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆19Nov 26, 2022Updated 3 years ago
- OpenMM is a toolkit for molecular simulation using high performance GPU code.☆1,903Jun 9, 2026Updated last week
- Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edit…☆344Mar 22, 2026Updated 2 months ago
- Conda recipes for Glotzer Lab software on HPC resources☆11Jun 8, 2026Updated last week
- The ESPResSo package☆268Jun 2, 2026Updated 2 weeks ago
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆711Apr 21, 2026Updated last month
- Physical validation of molecular simulations☆65Apr 6, 2026Updated 2 months ago
- Flexible storage of chemical topology for molecular simulation☆70Updated this week
- A lightweight package with the periodic table of the elements☆12Apr 1, 2021Updated 5 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Event-driven molecular dynamics simulations for hard spheres☆19May 4, 2026Updated last month
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆394Updated this week
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆315Nov 17, 2025Updated 6 months ago
- An open library for the analysis of molecular dynamics trajectories☆718Jun 9, 2026Updated last week
- Molecular simulation in Julia☆481Updated this week
- A package for atom-typing as well as applying and disseminating forcefields☆142Jun 9, 2026Updated last week
- Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/…☆929Updated this week
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆328Jan 7, 2026Updated 5 months ago
- A Framework for Metropolis Monte Carlo Simulation of Molecular Systems☆72Mar 10, 2026Updated 3 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆83Sep 5, 2024Updated last year
- Development version of plumed 2☆500Updated this week
- An open-source Python package for creating fast and accurate interatomic potentials.☆358Feb 6, 2026Updated 4 months ago
- Systematic force field optimization.☆164Jun 5, 2026Updated last week
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆22Updated this week
- ☆11Updated this week
- Monte Carlo and Molecular Dynamics Simulation Package☆95Jul 20, 2024Updated last year