zhantaochen / phonondos_e3nnLinks
Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"
☆28Updated 3 years ago
Alternatives and similar repositories for phonondos_e3nn
Users that are interested in phonondos_e3nn are comparing it to the libraries listed below
Sorting:
- Active Learning for Machine Learning Potentials☆62Updated 3 weeks ago
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- ☆21Updated last year
- The Wren sits on its Roost in the Aviary.☆61Updated 2 months ago
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆54Updated last month
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w☆72Updated last month
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated 2 years ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆30Updated last week
- Code for automated fitting of machine learned interatomic potentials.☆132Updated last week
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆80Updated 3 years ago
- tools for machine learning in condensed matter physics and quantum chemistry☆33Updated 3 years ago
- Collection of tutorials to use the MACE machine learning force field.☆50Updated last year
- Deprecated - see `pair_nequip_allegro`☆44Updated 7 months ago
- Python package to interact with high-dimensional representations of the chemical elements☆47Updated last week
- AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch☆61Updated 2 years ago
- Statistical Mechanics on Lattices☆90Updated last week
- Wyckoff Inorganic Crystal Generator Framework☆26Updated 9 months ago
- Machine Learning Interatomic Potential Predictions☆94Updated last year
- GRACE models and gracemaker (as implemented in TensorPotential package)☆77Updated last week
- Mirror of http://zeoplusplus.org/☆11Updated 7 years ago
- LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials☆59Updated 2 months ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆28Updated 2 years ago
- ☆29Updated 3 years ago
- ☆72Updated 2 years ago
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆28Updated 4 years ago
- Original implementation of CSPML☆29Updated 11 months ago
- Representation Learning from Stoichiometry☆59Updated 3 years ago
- Crystal graph attention neural networks for materials prediction☆28Updated 2 years ago
- ☆43Updated last year
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆61Updated 5 months ago