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 HOOMD-blue component for soft matter simulations.☆22Updated 3 weeks ago
- An interactive structure viewer alongside its simulated diffraction pattern☆18Updated 2 weeks ago
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆43Updated 9 months ago
- Software Suite for Advanced General Ensemble Simulations☆86Updated last year
- helPME: an efficient library for particle mesh Ewald☆28Updated 2 years ago
- Python code for learning Molecular Dynamics simulations☆52Updated 4 years ago
- a python package for the interfacial analysis of molecular simulations☆83Updated this week
- eChem: Jupyter book on theoretical chemistry☆96Updated 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
- Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs☆84Updated 3 months ago
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆31Updated 6 months ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆24Updated 3 years ago
- JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields☆58Updated 4 months ago
- A scalable and versatile library to generate representations for atomic-scale learning☆80Updated last year
- ☆57Updated 3 months ago
- MDAnalysis wrapper around Packmol☆29Updated last year
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆78Updated last week
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆58Updated 6 months ago
- a tool for creating Molecular Dynamics-ready models of polymeric systems☆22Updated 5 years ago
- VMD plugin for manipulating topology information☆35Updated last month
- A collection of scripts for pairing OVITO with freud and other Glotzer lab packages☆13Updated 3 weeks ago
- code for single-ended and double-ended molecular GSM☆55Updated 3 weeks ago
- Coarse-grained molecular model of DNA (LAMMPS plugin)☆17Updated 2 years ago
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆34Updated this week
- A comprehensive tool for analyzing liquid solvation structure.☆46Updated 7 months ago
- Python Suite for Advanced General Ensemble Simulations☆76Updated this week
- ☆83Updated 5 months ago
- A package for managing pair-potential derivation using MultiState Iterative Boltzmann Inversion (MS-IBI)☆13Updated 5 months ago
- KIM-based Learning-Integrated Fitting Framework for interatomic potentials.☆34Updated 2 weeks ago