Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
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Updated
Sep 3, 2024 - C++
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.
GPU-accelerated metadynamics code for obtaining low energy states
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