smsharma / eqnn-jaxLinks
Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
☆36Updated 4 months ago
Alternatives and similar repositories for eqnn-jax
Users that are interested in eqnn-jax are comparing it to the libraries listed below
Sorting:
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆108Updated 3 months ago
- Steerable E(3) GNN in jax☆24Updated last year
- Equivariant machine learning interatomic potentials in JAX.☆73Updated 2 months ago
- SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.☆24Updated last year
- ☆22Updated 2 months ago
- Tools for building equivariant polynomials on reductive Lie groups.☆34Updated 2 years ago
- jax library for E3 Equivariant Neural Networks☆210Updated 5 months ago
- ☆30Updated 2 years ago
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆23Updated 4 months ago
- Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0☆14Updated last month
- ☆11Updated last year
- Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling☆49Updated 3 months ago
- Higher order equivariant graph neural networks for 3D point clouds☆40Updated 2 years ago
- DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electr…☆57Updated 2 months ago
- E(n) Equivariant GNN in jax☆12Updated last year
- Implementation of various equivariant models in JAX☆12Updated last year
- [ICML 2025] Repurposing pre-trained score-based generative models for transition path sampling by minimizing the Onsager-Machlup (OM) act…☆12Updated 2 weeks ago
- Implementation of the Euclidean fast attention (EFA) algorithm☆54Updated this week
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆63Updated 8 months ago
- PySCF on IPU☆42Updated last year
- [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators☆14Updated 4 months ago
- Library for efficient training and application of Machine Learning Interatomic Potentials (MLIP)☆41Updated last week
- MESS: Modern Electronic Structure Simulations☆32Updated last week
- Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-f…☆30Updated last year
- CUDA implementations of MACE models☆15Updated 6 months ago
- Exchange correlation functionals translated from libxc to jax☆45Updated 3 months ago
- Boltzmann Generators and Normalizing Flows in PyTorch☆169Updated last year
- ☆23Updated last year
- ☆51Updated 2 years ago
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆31Updated last year