Molecular dynamics and Monte Carlo soft matter simulation on GPUs.

Software Suite for Advanced General Ensemble Simulations

Python Suite for Advanced General Ensemble Simulations

HOOMD-blue example scripts.

Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.

A plug-in for HOOMD-Blue, a particle simulation toolkit, that allows parallel Monte Carlo simulation of soft & hard continuous-polydisperse particles on CPUs.

Wrapper for HOOMD-blue simulation data into DLPack data structures

A library for modular HOOMD-Blue workflows

A plug-in for HOOMD-Blue, a particle simulation toolkit, that implements soft continuous-polydisperse particles for molecular dynamics on the CPUs and GPUs.

A Molecular Dynamics integrator for use in HOOMD-blue that enables simulations to use multiple, concurrent time steps. This enables simulations to simulate forces on varying time and spatial scales simultaneously.

a series of workflows to operate hoomd-blue; a library to proceed trajectories of particles in 2D and get their structural or dynamic properties

GPU-accelerated metadynamics code for obtaining low energy states