glotzerlab / hoomd-examples
HOOMD-blue example scripts.
☆34Updated 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 weeks ago
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆31Updated 8 months ago
- A generalized deep learning approach for local structure identification in molecular simulations. See https://doi.org/10.1039/C9SC02097G …☆17Updated 4 years ago
- A VMD molfile plugin reader for HOOMD-blue GSD files.☆17Updated 5 months ago
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆34Updated this week
- Sample molecular simulation workflows using a MoSDeF and community tools☆14Updated 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☆87Updated 5 months ago
- helPME: an efficient library for particle mesh Ewald☆29Updated 3 years ago
- MDAnalysis wrapper around Packmol☆31Updated last year
- An interactive structure viewer alongside its simulated diffraction pattern☆18Updated last month
- JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields☆64Updated 7 months ago
- a python package for the interfacial analysis of molecular simulations☆84Updated 3 weeks ago
- A package for managing pair-potential derivation using MultiState Iterative Boltzmann Inversion (MS-IBI)☆13Updated 8 months ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆78Updated 7 months ago
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆43Updated 11 months ago
- Python code for learning Molecular Dynamics simulations☆52Updated 4 years ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆24Updated 3 years ago
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆33Updated 2 years ago
- An open source Python framework for transition interface and path sampling calculations.☆110Updated 3 months ago
- Coarse-graining potentials from atomistic references made easy☆26Updated 3 years ago
- Materials for the 2021 PRACE Workshop @ SurfSARA☆30Updated 3 years ago
- Many-body dispersion library☆54Updated 6 months ago
- Coarse-grained molecular model of DNA (LAMMPS plugin)☆17Updated 3 years ago
- ☆58Updated 2 weeks ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆63Updated 2 years ago
- a tool for creating Molecular Dynamics-ready models of polymeric systems☆22Updated 6 years ago
- A collection of scripts for pairing OVITO with freud and other Glotzer lab packages☆14Updated 2 weeks ago
- VMD plugin for manipulating topology information☆36Updated this week
- Physical validation of molecular simulations☆56Updated 2 weeks ago