glotzerlab / hoomd-examplesLinks
HOOMD-blue example scripts.
☆38Updated last week
Alternatives and similar repositories for hoomd-examples
Users that are interested in hoomd-examples are comparing it to the libraries listed below
Sorting:
- Software Suite for Advanced General Ensemble Simulations☆90Updated 2 years ago
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆33Updated last year
- MDAnalysis wrapper around Packmol☆33Updated 2 years ago
- Sample molecular simulation workflows using a MoSDeF and community tools☆15Updated 3 years ago
- JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields☆71Updated last year
- A scalable and versatile library to generate representations for atomic-scale learning☆82Updated last year
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆48Updated last year
- A generalized deep learning approach for local structure identification in molecular simulations. See https://doi.org/10.1039/C9SC02097G …☆17Updated 5 years ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆29Updated 4 years ago
- An interactive structure viewer alongside its simulated diffraction pattern☆19Updated 2 weeks ago
- Molecular structure optimizer☆126Updated 2 years ago
- helPME: an efficient library for particle mesh Ewald☆29Updated 3 years ago
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆38Updated this week
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆84Updated this week
- A HOOMD-blue component for soft matter simulations.☆25Updated last week
- A Set of Tutorials for the LAMMPS Simulation Package☆36Updated 3 weeks ago
- A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)☆17Updated last week
- A swiss army knife to generate proton-disordered ice structures.☆79Updated last month
- Python code for learning Molecular Dynamics simulations☆53Updated 4 years ago
- Python Suite for Advanced General Ensemble Simulations☆91Updated last week
- A post-processing engine for particle simulations☆46Updated 2 months ago
- An open source Python framework for transition interface and path sampling calculations.☆115Updated 4 months ago
- Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs☆98Updated 4 months ago
- The source of the votca-csg and xtp packages☆55Updated 3 weeks ago
- a python package for the interfacial analysis of molecular simulations☆93Updated 2 months ago
- Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.☆22Updated last week
- The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…☆45Updated 2 years ago
- A comprehensive tool for analyzing liquid solvation structure.☆54Updated 3 months ago
- python library for atomistic machine learning☆89Updated last week
- Software for generating machine-learning interatomic potentials for LAMMPS☆178Updated last week