smsharma / eqnn-jaxLinks
Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
☆39Updated 8 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.☆109Updated 7 months ago
- ☆22Updated 6 months ago
- Steerable E(3) GNN in jax☆24Updated 2 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 8 months ago
- ☆34Updated 3 years ago
- Equivariant machine learning interatomic potentials in JAX.☆79Updated last week
- E(n) Equivariant GNN in jax☆14Updated 2 years ago
- SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.☆24Updated last year
- jax library for E3 Equivariant Neural Networks☆218Updated 2 months ago
- Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0☆17Updated last month
- [ICML 2025] Repurposing pre-trained score-based generative models for transition path sampling by minimizing the Onsager-Machlup (OM) act…☆20Updated 4 months ago
- Tools for building equivariant polynomials on reductive Lie groups.☆35Updated 2 years ago
- Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling☆52Updated 7 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 6 months ago
- An implementation of SchNet in JAX and JAX-MD.☆17Updated 3 years ago
- ☆12Updated last year
- ☆13Updated 11 months ago
- ☆23Updated 2 years ago
- Implementation of the Euclidean fast attention (EFA) algorithm☆56Updated 2 months ago
- MESS: Modern Electronic Structure Simulations☆42Updated last month
- ☆25Updated 3 months ago
- PySCF on IPU☆44Updated last year
- Implementation of various equivariant models in JAX☆12Updated last year
- CUDA implementations of MACE models☆19Updated 2 months ago
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆67Updated last year
- A repo for transferable sampling of molecular systems☆29Updated this week
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆36Updated last year
- A JAX-based Differentiable Density Functional Theory Framework for Materials☆39Updated 2 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