PASSIONLab / OpenEquivarianceLinks
OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.
☆99Updated 3 weeks ago
Alternatives and similar repositories for OpenEquivariance
Users that are interested in OpenEquivariance are comparing it to the libraries listed below
Sorting:
- Computing representations for atomistic machine learning☆74Updated this week
- Equivariant machine learning interatomic potentials in JAX.☆80Updated 2 weeks ago
- ☆23Updated 2 years ago
- ☆19Updated 2 years ago
- [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget.☆52Updated 3 weeks ago
- MESS: Modern Electronic Structure Simulations☆20Updated last year
- Compute neighbor lists for atomistic systems☆68Updated last month
- MESS: Modern Electronic Structure Simulations☆43Updated 2 months ago
- Higher order equivariant graph neural networks for 3D point clouds☆45Updated 2 years ago
- [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials☆67Updated 9 months ago
- Deprecated - see `pair_nequip_allegro`☆44Updated 7 months ago
- Pure C implementation of e3nn☆21Updated 8 months ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆56Updated 2 months ago
- Particle-mesh based calculations of long-range interactions in PyTorch☆64Updated last week
- Build neural networks for machine learning force fields with JAX☆127Updated 6 months ago
- A JAX-based Differentiable Density Functional Theory Framework for Materials☆41Updated last week
- LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials☆59Updated 2 months ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆80Updated 3 years ago
- Official implementation of DeepDFT model☆85Updated 2 years ago
- Particle-mesh based calculations of long-range interactions in JAX☆19Updated 2 weeks ago
- python library for atomistic machine learning☆89Updated last month
- Training Neural Network potentials through customizable routines in JAX.☆56Updated 4 months ago
- ☆22Updated 7 months ago
- C++/CUDA library for SO(3) equivariant operations☆25Updated last month
- Generate and predict molecular electron densities with Euclidean Neural Networks☆48Updated 2 years ago
- Collection of Tutorials on Machine Learning Interatomic Potentials☆23Updated last year
- Collection of tutorials to use the MACE machine learning force field.☆50Updated last year
- [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators☆14Updated 2 weeks ago
- ☆12Updated 9 months ago
- pytorch implementation of dftd2 & dftd3 (not actively maintained)☆88Updated last year