PASSIONLab / OpenEquivarianceLinks
OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.
☆81Updated last week
Alternatives and similar repositories for OpenEquivariance
Users that are interested in OpenEquivariance are comparing it to the libraries listed below
Sorting:
- ☆23Updated last year
- Equivariant machine learning interatomic potentials in JAX.☆74Updated 3 months ago
- Computing representations for atomistic machine learning☆72Updated this week
- Higher order equivariant graph neural networks for 3D point clouds☆40Updated 2 years ago
- MESS: Modern Electronic Structure Simulations☆32Updated this week
- MESS: Modern Electronic Structure Simulations☆20Updated 10 months ago
- Build neural networks for machine learning force fields with JAX☆123Updated 2 months ago
- ☆22Updated 2 months ago
- ☆18Updated 2 years ago
- Deprecated - see `pair_nequip_allegro`☆44Updated 3 months ago
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆32Updated last year
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆52Updated 4 months ago
- Jax / Haiku implementation of DimeNet++.☆18Updated 3 years ago
- A library for building equivariant neural networks and a zoo of implementations & examples.☆32Updated 2 years ago
- Collection of tutorials to use the MACE machine learning force field.☆48Updated 10 months ago
- C++/CUDA library for SO(3) equivariant operations☆25Updated this week
- Compute neighbor lists for atomistic systems☆57Updated this week
- Particle-mesh based calculations of long-range interactions in PyTorch☆53Updated 2 weeks ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆77Updated 3 years ago
- Force-field-enhanced Neural Networks optimized library☆57Updated this week
- LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials☆47Updated 3 weeks ago
- [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators☆14Updated 5 months ago
- Official implementation of DeepDFT model☆80Updated 2 years ago
- Higher-order equivariant neural networks for charge density prediction in materials☆59Updated 5 months ago
- High-performance operations for neural network potentials☆93Updated 5 months ago
- Implementation of the Euclidean fast attention (EFA) algorithm☆54Updated last week
- Generate and predict molecular electron densities with Euclidean Neural Networks☆48Updated last year
- Pure C implementation of e3nn☆20Updated 4 months ago
- Collection of Tutorials on Machine Learning Interatomic Potentials☆19Updated last year
- Particle-mesh based calculations of long-range interactions in JAX☆17Updated 5 months ago