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
- Sample molecular simulation workflows using a MoSDeF and community tools☆14Updated 2 years ago
- A generalized deep learning approach for local structure identification in molecular simulations. See https://doi.org/10.1039/C9SC02097G …☆17Updated 4 years ago
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆34Updated this week
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆22Updated 3 years ago
- An interactive structure viewer alongside its simulated diffraction pattern☆18Updated 3 months ago
- Software Suite for Advanced General Ensemble Simulations☆86Updated last year
- Python Suite for Advanced General Ensemble Simulations☆75Updated 3 weeks ago
- MDAnalysis wrapper around Packmol☆29Updated last year
- A package for managing pair-potential derivation using MultiState Iterative Boltzmann Inversion (MS-IBI)☆12Updated 4 months ago
- ☆11Updated last year
- The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…☆42Updated last year
- Python code for learning Molecular Dynamics simulations☆53Updated 4 years ago
- Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)☆64Updated last month
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆16Updated 2 years ago
- MBX is an energy and force calculator for data-driven many-body simulations.☆33Updated 4 months ago
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆43Updated 8 months ago
- A collection of scripts for pairing OVITO with freud and other Glotzer lab packages☆13Updated last week
- A HOOMD-blue component for soft matter simulations.☆21Updated last week
- helPME: an efficient library for particle mesh Ewald☆27Updated 2 years ago
- a python package for the interfacial analysis of molecular simulations☆82Updated last month
- ☆57Updated 2 months ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆62Updated last week
- ☆42Updated 4 years ago
- Coarse-grained molecular model of DNA (LAMMPS plugin)☆18Updated 2 years ago
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆30Updated 5 months ago
- Coarse-graining potentials from atomistic references made easy☆26Updated 3 years ago
- MLP training for molecular systems☆41Updated last month
- KIM-based Learning-Integrated Fitting Framework for interatomic potentials.☆34Updated 2 weeks ago
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆69Updated last month
- VMD plugin for manipulating topology information☆34Updated last week