glotzerlab / gsd
Read and write GSD files for use with HOOMD-blue.
☆25Updated this week
Alternatives and similar repositories for gsd:
Users that are interested in gsd are comparing it to the libraries listed below
- A VMD molfile plugin reader for HOOMD-blue GSD files.☆16Updated 5 months ago
- Sample molecular simulation workflows using a MoSDeF and community tools☆14Updated 2 years ago
- Workflow management for signac-managed data spaces.☆47Updated last week
- A HOOMD-blue component for soft matter simulations.☆22Updated last week
- The Open Knowledgebase of Interatomic Models (OpenKIM) aims to be an online resource for standardized testing, long-term warehousing and …☆32Updated this week
- HOOMD-blue example scripts.☆34Updated this week
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆31Updated 8 months ago
- ase interface for Quantum Espresso☆22Updated 4 years ago
- A lightweight package with the periodic table of the elements☆12Updated 4 years ago
- Library first implementation of the D3 dispersion correction☆64Updated last week
- A library that enables code interoperability via the MolSSI Driver Interface.☆33Updated 2 months ago
- Software Suite for Advanced General Ensemble Simulations☆87Updated 2 years ago
- Building blocks for scientific data pipelines☆39Updated this week
- A many-body extension of the FLARE code.☆36Updated 3 years ago
- Python interface to the KIM API. See https://openkim.org/kim-api for more information about the KIM API.☆16Updated this week
- A scalable and versatile library to generate representations for atomic-scale learning☆80Updated last year
- Crystal structure container and parsers for structure formats.☆35Updated 5 months ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆46Updated 9 months ago
- A collection of scripts for pairing OVITO with freud and other Glotzer lab packages☆14Updated last week
- Atomistic Manipulation Toolkit☆36Updated 3 weeks ago
- ☆29Updated 2 weeks ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆65Updated 3 weeks ago
- Collection of tools to help initialize and manipulate shapes.☆23Updated last week
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆48Updated last week
- Python framework for generating and validating pseudo potentials☆42Updated last year
- Free Objects for Crystallography : Fox / ObjCryst++☆23Updated 7 months ago
- Many-body dispersion library☆54Updated 6 months ago
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Updated 10 months ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆53Updated 5 months ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆42Updated 3 weeks ago