Phonon code
☆486Jul 20, 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☆164Updated this week
- C library for finding and handling crystal symmetries☆371Jul 13, 2026Updated last week
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆191Jul 2, 2026Updated 2 weeks ago
- The Temperature Dependent Effective Potentials (TDEP) code☆122Jul 2, 2026Updated 2 weeks ago
- Phonon anharmonicity analysis from molecular dynamics☆143Apr 14, 2026Updated 3 months ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Ab initio simulator for thermal transport and lattice anharmonicity☆200Jul 9, 2026Updated last week
- Visualise lattice vibrations☆109Apr 4, 2026Updated 3 months ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆268Updated 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
- LAMMPS interface for phonon calculations using phonopy☆94Nov 5, 2025Updated 8 months ago
- Heavyweight plotting tools for ab initio calculations☆254Apr 9, 2026Updated 3 months ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆166Apr 22, 2026Updated 2 months ago
- A code to generate atomic structure with symmetry☆379Updated this week
- Tools for Phono(3)py power users.☆37Oct 23, 2023Updated 2 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆264Jul 18, 2024Updated 2 years ago
- Blender extensions for illustrations of phonons☆69Mar 6, 2019Updated 7 years ago
- Official repository of the Wannier90 code☆330Updated this week
- Band structure unfolding made easy!☆67Jul 6, 2026Updated 2 weeks ago
- A python library for calculating materials properties from the PES☆148Jul 10, 2026Updated last week
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆83Apr 20, 2026Updated 3 months ago
- Python interface for VASP☆99Updated this week
- Band unfolding for phonons☆62Oct 23, 2024Updated last year
- DFTB+ general package for performing fast atomistic simulations☆432Updated this week
- 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.
- A Python library for electronic structure pre/post-processing☆215Jan 29, 2026Updated 5 months ago
- atomate2 is a library of computational materials science workflows☆329Updated this week
- Electronic transport properties from first-principles calculations☆164Jul 13, 2026Updated last week
- TDEP Tutorials☆38Jun 1, 2025Updated last year
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆185Jan 7, 2026Updated 6 months ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆398Jul 5, 2026Updated 2 weeks ago
- Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.☆676Jul 9, 2026Updated last week
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆42Jun 10, 2026Updated last month
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆265May 23, 2026Updated last month
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆20Jan 22, 2022Updated 4 years ago
- Materials science with Python at the atomic-scale☆239Jul 13, 2026Updated last week
- A plugin to AiiDA for running simulations with VASP☆65Updated this week
- A Python library and command line interface for automated free energy calculations☆93Updated this week
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆393Feb 19, 2026Updated 5 months ago
- Code for automated fitting of machine learned interatomic potentials.☆152Jul 14, 2026Updated last week
- Open-source library for analyzing the results produced by ABINIT☆142Jun 16, 2026Updated last month