Phonon code
☆505Oct 29, 2026Updated this week
Alternatives and similar repositories for phonopy
Users that are interested in phonopy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A simulation package of phonon-phonon interaction related properties☆170Updated this week
- C library for finding and handling crystal symmetries☆376Oct 10, 2026Updated 2 weeks ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆193Sep 29, 2026Updated last month
- The Temperature Dependent Effective Potentials (TDEP) code☆126Oct 7, 2026Updated 3 weeks ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆208Oct 14, 2026Updated 2 weeks 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.
- Phonon anharmonicity analysis from molecular dynamics☆143Oct 23, 2026Updated last week
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆285Updated this week
- Visualise lattice vibrations☆113Oct 21, 2026Updated last week
- LAMMPS interface for phonon calculations using phonopy☆96Nov 5, 2025Updated 11 months ago
- A code to generate atomic structure with symmetry☆394Oct 23, 2026Updated last week
- Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support f…☆2,003Updated this week
- Heavyweight plotting tools for ab initio calculations☆261Sep 3, 2026Updated last month
- Wannier90: Maximally-localised Wannier functions for electronic-structure calculations (standalone code and Fortran/C/Python library)☆346Oct 20, 2026Updated last week
- Band structure unfolding made easy!☆70Jul 6, 2026Updated 3 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Tools for Phono(3)py power users.☆38Oct 23, 2023Updated 3 years ago
- DFTB+ general package for performing fast atomistic simulations☆440Oct 22, 2026Updated last week
- Blender extensions for illustrations of phonons☆71Mar 6, 2019Updated 7 years ago
- atomate2 is a library of computational materials science workflows☆358Updated this week
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆169Sep 25, 2026Updated last month
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆86Oct 16, 2026Updated 2 weeks ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆264Jul 18, 2024Updated 2 years ago
- A python library for calculating materials properties from the PES☆157Updated this week
- i-PI: a universal force engine☆322Updated this week
- 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.
- quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.☆301Updated this week
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆343Jun 9, 2025Updated last year
- Python interface for VASP☆101Oct 21, 2026Updated last week
- A Python library for electronic structure pre/post-processing☆225Oct 10, 2026Updated 2 weeks ago
- A Python library and command line interface for automated free energy calculations☆95Oct 11, 2026Updated 2 weeks ago
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆232Updated this week
- Electronic transport properties from first-principles calculations☆164Oct 19, 2026Updated last week
- Code for automated fitting of machine learned interatomic potentials.☆164Updated this week
- Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.☆705Jul 9, 2026Updated 3 months 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.
- TDEP Tutorials☆38Jun 1, 2025Updated last year
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆404Aug 22, 2026Updated 2 months ago
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆467Updated this week
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆269Oct 11, 2026Updated 2 weeks ago
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆128Updated this week
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆413Sep 15, 2026Updated last month
- Band unfolding for phonons☆64Oct 23, 2024Updated 2 years ago