On-the-fly generator of space-group irreducible representations
☆58Aug 10, 2026Updated this 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☆18Updated this week
- Library for Crystal Symmetry in Rust☆76Updated this week
- A Julia wrapper for the spglib C-API☆24Jun 22, 2026Updated last month
- ☆18Mar 24, 2025Updated last year
- A tool for generating unique ordered structures corresponding to a given disordered structure.☆19Dec 28, 2023Updated 2 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- Primer of crystal symmetry and space group☆17Jan 7, 2026Updated 7 months ago
- ☆13Jan 4, 2024Updated 2 years ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44May 28, 2026Updated 2 months ago
- SHRY (Suite for High-throughput generation of models with atomic substitutions implemented by python) is a tool for generating unique ord…☆15Feb 16, 2026Updated 5 months ago
- An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)☆10Dec 17, 2022Updated 3 years ago
- Tools for crystallographic symmetry analysis☆65Jul 9, 2026Updated last month
- Specification of a common REST API for access to materials databases☆108Jul 3, 2026Updated last month
- A Julia package for fitting the equation of state of solids, and more☆16Jun 18, 2026Updated last month
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- C library for finding and handling crystal symmetries☆372Jul 13, 2026Updated last month
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated 2 years ago
- ☆43Aug 1, 2026Updated last week
- Use time-splits for Materials Project entries for generative modeling benchmarking.☆13Mar 12, 2026Updated 5 months ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆15Nov 18, 2024Updated last year
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- URL links to phonondb data☆41May 20, 2026Updated 2 months ago
- A library for symmetry operations and linear interpolation within an irreducible part of the first Brillouin zone.☆17Nov 11, 2025Updated 9 months ago
- The recursive hybrid tetrathedron method for Brillouin zone integrations in 2D/3D☆11Nov 20, 2021Updated 4 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Python package for detecting spin space group on top of spglib☆23Oct 29, 2025Updated 9 months ago
- A playground for Wannier functions☆42Aug 6, 2026Updated last week
- Generate symmetrized force constants☆29Updated this week
- Python package to interact with high-dimensional representations of the chemical elements☆52Updated this week
- Wyckoff Inorganic Crystal Generator Framework☆29Mar 7, 2025Updated last year
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 5 months ago
- Tools and Methods for Kikuchi Diffraction☆15Nov 19, 2025Updated 8 months ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 3 years ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆201Jul 29, 2026Updated 2 weeks ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Jupyter Book source files for 2022 MSD summer research internship.☆14Jul 10, 2023Updated 3 years ago
- Using different methods to calculate Chern number for Haldane model with disorder☆22Aug 27, 2018Updated 7 years ago
- pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing …☆19Apr 24, 2026Updated 3 months ago
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- Computing Hermite normal form and Smith normal form with transformation matrices☆22Aug 2, 2026Updated last week
- Interfacial Phonon code☆28Jul 31, 2022Updated 4 years ago
- Script to generate distorted perovskite structures☆13Feb 10, 2024Updated 2 years ago