C library for finding and handling crystal symmetries
☆371Jul 13, 2026Updated 2 weeks ago
Alternatives and similar repositories for spglib
Users that are interested in spglib are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Phonon code☆486Updated this week
- A code to generate atomic structure with symmetry☆379Updated this week
- Official repository of the Wannier90 code☆332Updated this week
- A simulation package of phonon-phonon interaction related properties☆164Updated this week
- Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support f…☆1,929Updated this week
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Library for Crystal Symmetry in Rust☆76Updated this week
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆263Jul 18, 2024Updated 2 years ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆399Jul 5, 2026Updated 3 weeks ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆166Apr 22, 2026Updated 3 months ago
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆471Apr 18, 2026Updated 3 months ago
- On-the-fly generator of space-group irreducible representations☆58Updated this week
- DFTB+ general package for performing fast atomistic simulations☆432Updated this week
- A simple, robust and flexible just-in-time job management framework in Python.☆183Jul 6, 2026Updated 3 weeks ago
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Aug 12, 2024Updated last year
- Domain specific library for electronic structure calculations☆168Updated this week
- Blender extensions for illustrations of phonons☆69Mar 6, 2019Updated 7 years ago
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆229Updated this week
- Heavyweight plotting tools for ab initio calculations☆254Apr 9, 2026Updated 3 months ago
- A library of ultrasoft and PAW pseudopotentials☆104Sep 16, 2022Updated 3 years ago
- A tool for creating and manipulating tight-binding models.☆42Mar 6, 2025Updated last year
- Visualise lattice vibrations☆112Apr 4, 2026Updated 3 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- An open-source Python package for creating fast and accurate interatomic potentials.☆358Jul 7, 2026Updated 3 weeks ago
- Specification of a common REST API for access to materials databases☆108Jul 3, 2026Updated 3 weeks ago
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆335Jun 9, 2025Updated last year
- A python library for calculating materials properties from the PES☆148Updated this week
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆82Updated this week
- Minimum-strain symmetrization of Bravais lattices☆18May 14, 2020Updated 6 years ago
- The Wren sits on its Roost in the Aviary.☆63Jul 6, 2026Updated 3 weeks ago
- Quantum chemistry and solid state physics software package☆1,174Updated this week
- Phonon anharmonicity analysis from molecular dynamics☆143Updated this week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Scientific Python package for tight-binding calculations in solid state physics☆209Oct 15, 2023Updated 2 years ago
- Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.☆680Jul 9, 2026Updated 2 weeks ago
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆266May 23, 2026Updated 2 months ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆270Updated this week
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆200Jul 21, 2026Updated last week
- SgInfo - Space Group Info☆19Feb 13, 2022Updated 4 years ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44May 28, 2026Updated 2 months ago