gerkone / egnn-jaxLinks
E(n) Equivariant GNN in jax
☆14Updated 2 years ago
Alternatives and similar repositories for egnn-jax
Users that are interested in egnn-jax are comparing it to the libraries listed below
Sorting:
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.☆40Updated 10 months ago
- Steerable E(3) GNN in jax☆24Updated 2 years ago
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆110Updated 9 months ago
- ☆22Updated 8 months ago
- Implementation of various equivariant models in JAX☆12Updated last year
- ☆12Updated 2 years ago
- jax library for E3 Equivariant Neural Networks☆223Updated 5 months ago
- Tools for building equivariant polynomials on reductive Lie groups.☆36Updated 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…☆65Updated 9 months ago
- An implementation of SchNet in JAX and JAX-MD.☆17Updated 3 years ago
- Nomalizing flows for orbita-free DFT☆11Updated last year
- Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-f…☆32Updated last year
- SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.☆24Updated last year
- Higher order equivariant graph neural networks for 3D point clouds☆46Updated 2 years ago
- Equivariant machine learning interatomic potentials in JAX.☆83Updated this week
- ☆23Updated 2 years ago
- MESS: Modern Electronic Structure Simulations☆43Updated 4 months ago
- JAX implementation of the NequIP neural network interatomic potential☆14Updated 6 months ago
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆28Updated 11 months ago
- ☆34Updated 3 years ago
- A JAX-based Differentiable Density Functional Theory Framework for Materials☆42Updated this week
- CUDA implementations of MACE models☆20Updated 5 months ago
- ☆53Updated 3 years ago
- repository and website for tutorials on 3d Euclidean equivariant neural networks☆77Updated 4 years ago
- Exchange correlation functionals translated from libxc to jax☆49Updated 10 months ago
- Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".☆43Updated 3 years ago
- C++/CUDA library for SO(3) equivariant operations☆25Updated 3 months ago
- Calculate observables from neural network-based VMC (NN-VMC).☆17Updated 9 months ago
- [ICML 2025] Repurposing pre-trained score-based generative models for transition path sampling by minimizing the Onsager-Machlup (OM) act…☆25Updated 2 weeks ago
- ☆60Updated 3 years ago