glotzerlab / gsd
Read and write GSD files for use with HOOMD-blue.
☆25Updated this week
Related projects: ⓘ
- Sample molecular simulation workflows using a MoSDeF and community tools☆13Updated 2 years ago
- A VMD molfile plugin reader for HOOMD-blue GSD files.☆15Updated 2 years ago
- A lightweight package with the periodic table of the elements☆12Updated 3 years ago
- HOOMD-blue example scripts.☆35Updated 2 weeks ago
- A HOOMD-blue component for soft matter simulations.☆21Updated last month
- The Open Knowledgebase of Interatomic Models (OpenKIM) aims to be an online resource for standardized testing, long-term warehousing and …☆31Updated last year
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆30Updated last month
- Workflow management for signac-managed data spaces.☆48Updated 2 weeks ago
- A scalable and versatile library to generate representations for atomic-scale learning☆80Updated 8 months ago
- Software Suite for Advanced General Ensemble Simulations☆82Updated last year
- Cassandra is a Monte Carlo package to conduct atomistic simulations.☆39Updated 4 months ago
- Examples for the signac framework.☆14Updated 2 months ago
- The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…☆34Updated last year
- A many-body extension of the FLARE code.☆35Updated 2 years ago
- A collection of scripts for pairing OVITO with freud and other Glotzer lab packages☆13Updated 2 months ago
- A tiny package to compute the dynamics of stochastic and molecular simulations☆24Updated last year
- Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.☆14Updated last month
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆54Updated this week
- Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for th…☆56Updated 3 years ago
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆75Updated this week
- jobflow is a library for writing computational workflows.☆93Updated this week
- ase interface for Quantum Espresso☆21Updated 3 years ago
- Coarse-graining potentials from atomistic references made easy☆26Updated 2 years ago
- reimplementation of the DFT-D3 program☆51Updated 2 weeks ago
- A swiss army knife to generate proton-disordered ice structures.☆61Updated 2 weeks ago
- MDAnalysis wrapper around Packmol☆25Updated last year
- Many-body dispersion library☆51Updated last week
- Atomistic Manipulation Toolkit☆33Updated last month
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆30Updated 2 years ago
- Atomistic Manipulation Toolkit☆79Updated 4 months ago