glotzerlab / hoomd-examples
HOOMD-blue example scripts.
☆35Updated last week
Alternatives and similar repositories for hoomd-examples:
Users that are interested in hoomd-examples are comparing it to the libraries listed below
- A HOOMD-blue component for soft matter simulations.☆22Updated 2 months ago
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆31Updated 7 months ago
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆34Updated this week
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆33Updated 2 years ago
- Software Suite for Advanced General Ensemble Simulations☆87Updated 2 years ago
- Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs☆86Updated 5 months ago
- Python code for learning Molecular Dynamics simulations☆52Updated 4 years ago
- MBX is an energy and force calculator for data-driven many-body simulations.☆36Updated 6 months ago
- An interactive structure viewer alongside its simulated diffraction pattern☆18Updated 3 weeks ago
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆43Updated 10 months ago
- Sample molecular simulation workflows using a MoSDeF and community tools☆14Updated 2 years ago
- JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields☆62Updated 6 months ago
- The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…☆42Updated 2 years ago
- MDAnalysis wrapper around Packmol☆30Updated last year
- Coarse-grained molecular model of DNA (LAMMPS plugin)☆17Updated 2 years ago
- helPME: an efficient library for particle mesh Ewald☆28Updated 3 years ago
- ☆42Updated 4 years ago
- ☆45Updated 9 months ago
- ☆58Updated 4 months ago
- KIM-based Learning-Integrated Fitting Framework for interatomic potentials.☆34Updated last month
- A package for managing pair-potential derivation using MultiState Iterative Boltzmann Inversion (MS-IBI)☆13Updated 7 months ago
- Python Suite for Advanced General Ensemble Simulations☆77Updated this week
- A generalized deep learning approach for local structure identification in molecular simulations. See https://doi.org/10.1039/C9SC02097G …☆17Updated 4 years ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆24Updated 3 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆78Updated 6 months ago
- Materials for the 2021 PRACE Workshop @ SurfSARA☆31Updated 3 years ago
- The future of Packmol☆30Updated last week
- Benchmark CPUs and GPUs by running molecular dynamics simulations in LAMMPS☆11Updated 2 years ago
- Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.☆58Updated last week
- VMD plugin for manipulating topology information☆36Updated 2 months ago