This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crystals.
☆13Feb 20, 2026Updated 3 weeks ago
Alternatives and similar repositories for AnisoNet
Users that are interested in AnisoNet are comparing it to the libraries listed below
Sorting:
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- ☆22Mar 18, 2024Updated 2 years ago
- Local Environment-based Atomic Features☆13Dec 19, 2024Updated last year
- 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
- ☆12Mar 6, 2026Updated 2 weeks ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Mar 10, 2026Updated last week
- Tutorial exercises for the OPTIMADE API☆17Sep 27, 2023Updated 2 years ago
- Equivariant machine learning model for predicting self-consistent Hubbard parameters☆18Mar 30, 2025Updated 11 months ago
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆11Jan 28, 2026Updated last month
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 3 weeks ago
- A pymatgen addon for parsing Quantum ESPRESSO files☆31Nov 30, 2024Updated last year
- We present the virtual node graph neural network (VGNN) to address the challenges in phonon prediction.☆23Oct 28, 2024Updated last year
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆30Feb 18, 2026Updated last month
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.