URL links to phonondb data
☆34Feb 16, 2026Updated 2 weeks ago
Alternatives and similar repositories for phonondb
Users that are interested in phonondb are comparing it to the libraries listed below
Sorting:
- Generate symmetrized force constants☆26Feb 24, 2026Updated last week
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆13Feb 20, 2026Updated 2 weeks ago
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆11Jan 28, 2026Updated last month
- ☆25Aug 20, 2025Updated 6 months ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Feb 23, 2026Updated last week
- Python package for detecting spin space group on top of spglib☆20Oct 29, 2025Updated 4 months ago
- The Temperature Dependent Effective Potentials (TDEP) code☆100Feb 18, 2026Updated 2 weeks ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆57Nov 11, 2025Updated 3 months ago
- Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations☆16Nov 28, 2023Updated 2 years ago
- Primer of crystal symmetry and space group☆16Jan 7, 2026Updated 2 months ago
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Nov 8, 2022Updated 3 years ago
- Tutorial exercises for the OPTIMADE API☆17Sep 27, 2023Updated 2 years ago
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆17Jun 5, 2023Updated 2 years ago
- Band structure unfolding made easy!☆61Updated this week
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Data Science for Materials - Collection of Open Educational Resources☆16Jun 18, 2025Updated 8 months ago
- This git repository will serve as a companion to a forthcoming chapter in "Quantum Chemistry in the Age of Machine Learning"☆14Jul 22, 2024Updated last year
- Tutorial to learn basic features of atomate2☆15Sep 17, 2024Updated last year
- Different utilities used by our group☆29Feb 6, 2026Updated last month
- TDEP Tutorials☆34Jun 1, 2025Updated 9 months ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Nov 11, 2023Updated 2 years ago
- Compressive sensing lattice dynamics☆32Feb 20, 2025Updated last year
- Heavyweight plotting tools for ab initio calculations☆243May 7, 2025Updated 9 months ago
- On-the-fly generator of space-group irreducible representations☆56Updated this week
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated last year
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44Jan 28, 2026Updated last month
- Phonons from ML force fields☆23Jul 7, 2025Updated 7 months ago
- A tool for generating unique ordered structures corresponding to a given disordered structure.☆17Dec 28, 2023Updated 2 years ago
- MACE_Osaka24 models☆26Dec 19, 2024Updated last year
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- Phonon anharmonicity analysis from molecular dynamics☆137Oct 2, 2025Updated 5 months ago
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆365Feb 19, 2026Updated 2 weeks ago
- Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (…☆24Jan 20, 2026Updated last month
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆20Nov 20, 2024Updated last year
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆230Updated this week
- ☆20May 7, 2024Updated last year
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆25Jan 20, 2026Updated last month
- Generator of polynomial machine learning potentials☆19Updated this week
- An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…☆58Feb 6, 2026Updated last month