We present the virtual node graph neural network (VGNN) to address the challenges in phonon prediction.
☆25Oct 28, 2024Updated 2 years ago
Alternatives and similar repositories for phonon_prediction
Users that are interested in phonon_prediction are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Prediction of phonon properties using e3nn☆11Mar 30, 2026Updated 7 months ago
- ☆12Sep 1, 2025Updated last year
- Structural constraint integration in a generative model for the discovery of quantum materials☆35Oct 2, 2025Updated last year
- Data and python scripts for journal publication on "Accelerating High-Throughput Phonon Calculations via Machine Learning Universal Poten…☆10Dec 2, 2024Updated last year
- Heat-conductivity benchmark test for foundational machine-learning potentials☆31Jun 28, 2026Updated 4 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.
- Generator of polynomial machine learning potentials☆24Updated this week
- ☆24Mar 18, 2024Updated 2 years ago
- Phonons from ML force fields☆24Mar 22, 2026Updated 7 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
- High-throughput materials discovery.☆21Apr 27, 2026Updated 6 months ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 8 months ago
- Rapid building, fitting, and application of machine learning force fields☆10Oct 19, 2026Updated 2 weeks ago
- A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning i…☆11Apr 22, 2026Updated 6 months ago
- Automation software for calculating anharmonic phonon properties☆30Oct 29, 2026Updated last week
- 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.
- ☆13Feb 1, 2025Updated last year
- Code for "Enhancing Materials Discovery with Valence Constrained Design in Generative Modeling"☆14Apr 2, 2026Updated 7 months ago
- ☆16Apr 8, 2023Updated 3 years ago
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆13Feb 19, 2025Updated last year
- Useful tools integrated for VASP/Wannier90 interface☆13Aug 31, 2022Updated 4 years ago
- Equivariant machine learning model for predicting self-consistent Hubbard parameters☆21Apr 13, 2026Updated 6 months ago
- Benchmark metrics for crystal structure prediction☆15Aug 1, 2024Updated 2 years ago
- ☆17Jul 23, 2026Updated 3 months ago
- Benchmark of crystal structure prediction algorithms☆16Jun 9, 2025Updated last year
- 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.
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- ☆14Dec 14, 2024Updated last year
- Alchemical machine learning interatomic potentials☆39Nov 8, 2024Updated last year
- Lightweight diffusion transformer for crystalline materials discovery☆28Updated this week
- Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093☆14Jul 8, 2025Updated last year
- Different utilities used by our group☆39Sep 7, 2026Updated 2 months ago
- Semi-supervised learning code + CAVD + BVSE + QE-NEB for identifying prospective ion conductors☆15Sep 24, 2022Updated 4 years ago
- Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures☆34Dec 19, 2024Updated last year
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆21Apr 19, 2023Updated 3 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 5 months ago
- An attention-based deep neural network for thermoelectric transport properties☆17Apr 5, 2023Updated 3 years ago
- Attention-based Crystal to Sequence Learning for Density of States Prediction☆14Oct 3, 2023Updated 3 years ago
- Python modules for electron–phonon models☆41Sep 16, 2026Updated last month
- Intelligent Scientific Agent for Materials Design☆24Sep 1, 2026Updated 2 months ago
- ☆13Jul 13, 2025Updated last year
- PhononBench is a phonon-based benchmark for large-scale dynamical stability evaluation of AI-generated crystals, featuring 100k+ structur…☆40May 29, 2026Updated 5 months ago