On-the-fly generator of space-group irreducible representations
☆56Mar 16, 2026Updated last week
Alternatives and similar repositories for spgrep
Users that are interested in spgrep are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Collective atomic modulation analysis with irreducible space-group representation☆18Mar 17, 2026Updated last week
- A Julia wrapper for the spglib C-API☆24Mar 13, 2026Updated last week
- Library for Crystal Symmetry in Rust☆70Mar 16, 2026Updated last week
- A tool for generating unique ordered structures corresponding to a given disordered structure.☆17Dec 28, 2023Updated 2 years ago
- ☆17Mar 24, 2025Updated 11 months ago
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- Primer of crystal symmetry and space group☆16Jan 7, 2026Updated 2 months ago
- ☆13Jan 4, 2024Updated 2 years ago
- An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)☆10Dec 17, 2022Updated 3 years ago
- Use time-splits for Materials Project entries for generative modeling benchmarking.☆12Mar 12, 2026Updated last week
- Specification of a common REST API for access to materials databases☆104Feb 6, 2026Updated last month
- Tools for crystallographic symmetry analysis☆65Updated this week
- C library for finding and handling crystal symmetries☆358Dec 28, 2025Updated 2 months ago
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated last year
- A Julia package for fitting the equation of state of solids, and more☆15Sep 18, 2025Updated 6 months ago
- ☆42Mar 14, 2026Updated last week
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44Mar 14, 2026Updated last week
- URL links to phonondb data☆34Feb 16, 2026Updated last month
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Nov 18, 2024Updated last year
- A library for symmetry operations and linear interpolation within an irreducible part of the first Brillouin zone.☆17Nov 11, 2025Updated 4 months ago
- Generate symmetrized force constants☆27Mar 17, 2026Updated last week
- A playground for Wannier functions☆41Mar 9, 2026Updated 2 weeks ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆73Feb 20, 2026Updated last month
- Python package for detecting spin space group on top of spglib☆20Oct 29, 2025Updated 4 months ago
- Python package to interact with high-dimensional representations of the chemical elements☆51Feb 23, 2026Updated last month
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆13Feb 20, 2026Updated last month
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 2 years ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆186Mar 4, 2026Updated 2 weeks ago
- Wyckoff Inorganic Crystal Generator Framework☆28Mar 7, 2025Updated last year
- Jupyter Book source files for 2022 MSD summer research internship.☆13Jul 10, 2023Updated 2 years ago
- Tools and Methods for Kikuchi Diffraction☆15Nov 19, 2025Updated 4 months ago
- Using different methods to calculate Chern number for Haldane model with disorder☆22Aug 27, 2018Updated 7 years ago
- Python based tool for Hough/Radon based EBSD orientation indexing☆17Mar 7, 2026Updated 2 weeks ago
- Computing Hermite normal form and Smith normal form with transformation matrices☆21Jan 4, 2026Updated 2 months ago
- Script to generate distorted perovskite structures☆13Feb 10, 2024Updated 2 years ago
- Interfacial Phonon code☆28Jul 31, 2022Updated 3 years ago
- A tool for finding optimized SQS structures tool written in C++☆66Mar 14, 2026Updated last week
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year