smsharma / eqnn-jaxLinks
Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
☆40Updated 9 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:
- ☆22Updated 7 months ago
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆109Updated 8 months ago
- Steerable E(3) GNN in jax☆24Updated 2 years ago
- Equivariant machine learning interatomic potentials in JAX.☆80Updated 2 weeks ago
- E(n) Equivariant GNN in jax☆14Updated 2 years ago
- ☆34Updated 3 years ago
- Higher order equivariant graph neural networks for 3D point clouds☆45Updated 2 years ago
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆28Updated 9 months 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…☆63Updated 7 months ago
- Tools for building equivariant polynomials on reductive Lie groups.☆35Updated 2 years ago
- jax library for E3 Equivariant Neural Networks☆220Updated 3 months ago
- An implementation of SchNet in JAX and JAX-MD.☆17Updated 3 years ago
- ☆23Updated 2 years ago
- Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling☆54Updated 8 months ago
- SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.☆24Updated last year
- [ICML 2025] Repurposing pre-trained score-based generative models for transition path sampling by minimizing the Onsager-Machlup (OM) act…☆24Updated 2 weeks ago
- ☆12Updated last year
- MESS: Modern Electronic Structure Simulations☆43Updated 2 months ago
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆36Updated last year
- CUDA implementations of MACE models☆20Updated 3 months ago
- Implementation of the Euclidean fast attention (EFA) algorithm☆57Updated 2 months ago
- Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0☆17Updated 3 weeks ago
- JAX implementation of the NequIP neural network interatomic potential☆13Updated 4 months ago
- Library for efficient training and application of Machine Learning Interatomic Potentials (MLIP)☆74Updated 3 weeks ago
- Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-f…☆31Updated last year
- Implementation of various equivariant models in JAX☆12Updated last year
- PySCF on IPU☆44Updated last year
- ☆13Updated 11 months ago
- ☆53Updated 3 years ago
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆68Updated last year