C library for finding and handling crystal symmetries
☆357Dec 28, 2025Updated 2 months ago
Alternatives and similar repositories for spglib
Users that are interested in spglib are comparing it to the libraries listed below
Sorting:
- Phonon code☆462Feb 24, 2026Updated last week
- A code to generate atomic structure with symmetry☆360Feb 20, 2026Updated last week
- A simulation package of phonon-phonon interaction related properties☆157Updated this week
- Official repository of the Wannier90 code☆304Feb 9, 2026Updated 3 weeks ago
- Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support f…☆1,816Feb 24, 2026Updated last week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆154Jan 31, 2026Updated last month
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆383Jan 30, 2026Updated last month
- Library for Crystal Symmetry in Rust☆69Feb 23, 2026Updated last week
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Aug 12, 2024Updated last year
- A simple, robust and flexible just-in-time job management framework in Python.☆175Feb 2, 2026Updated last month
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Jul 18, 2024Updated last year
- On-the-fly generator of space-group irreducible representations☆56Feb 23, 2026Updated last week
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆460Sep 27, 2025Updated 5 months ago
- DFTB+ general package for performing fast atomistic simulations☆413Feb 5, 2026Updated 3 weeks ago
- Domain specific library for electronic structure calculations☆164Updated this week
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated last year
- Heavyweight plotting tools for ab initio calculations☆243May 7, 2025Updated 9 months ago
- Minimum-strain symmetrization of Bravais lattices☆18May 14, 2020Updated 5 years ago
- An open-source Python package for creating fast and accurate interatomic potentials.☆343Feb 6, 2026Updated 3 weeks ago
- A library of ultrasoft and PAW pseudopotentials☆93Sep 16, 2022Updated 3 years ago
- Blender extensions for illustrations of phonons☆68Mar 6, 2019Updated 6 years ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆208Feb 14, 2026Updated 2 weeks ago
- Visualise lattice vibrations☆107Jun 3, 2025Updated 9 months ago
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- A tool for creating and manipulating tight-binding models.☆41Mar 6, 2025Updated 11 months ago
- Specification of a common REST API for access to materials databases☆103Feb 6, 2026Updated 3 weeks ago
- Scientific Python package for tight-binding calculations in solid state physics☆205Oct 15, 2023Updated 2 years ago
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆321Jun 9, 2025Updated 8 months ago
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆254Feb 7, 2026Updated 3 weeks ago
- Quantum chemistry and solid state physics software package☆1,074Updated this week
- jobflow is a library for writing computational workflows.☆118Feb 24, 2026Updated last week
- A Python library for electronic structure pre/post-processing☆202Jan 29, 2026Updated last month
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆239Updated this week
- Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.☆643Updated this week
- The Wren sits on its Roost in the Aviary.☆61Jan 6, 2026Updated last month
- Phonon anharmonicity analysis from molecular dynamics☆137Oct 2, 2025Updated 5 months ago
- pyiron - an integrated development environment (IDE) for computational materials science.☆439Oct 13, 2025Updated 4 months ago
- New API client for the Materials Project☆161Updated this week
- Density-functional toolkit☆514Updated this week