gerkone / egnn-jax
E(n) Equivariant GNN in jax
☆11Updated last year
Alternatives and similar repositories for egnn-jax:
Users that are interested in egnn-jax are comparing it to the libraries listed below
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.☆30Updated 2 weeks ago
- Steerable E(3) GNN in jax☆24Updated last year
- ☆21Updated 10 months ago
- Tools for building equivariant polynomials on reductive Lie groups.☆29Updated last year
- Implementation of various equivariant models in JAX☆12Updated 10 months ago
- CUDA implementations of MACE models☆12Updated last month
- Higher order equivariant graph neural networks for 3D point clouds☆35Updated last year
- An implementation of SchNet in JAX and JAX-MD.☆17Updated 2 years ago
- Equivariant machine learning interatomic potentials in JAX.☆69Updated last year
- ☆10Updated last year
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆16Updated this week
- MESS: Modern Electronic Structure Simulations☆25Updated 4 months ago
- ☆22Updated last year
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆102Updated 3 months ago
- ☆27Updated 2 years ago
- ☆60Updated 2 years ago
- Pure C implementation of e3nn☆17Updated 3 months ago
- SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.☆25Updated 10 months ago
- Exchange correlation functionals translated from libxc to jax☆43Updated last year
- C++/CUDA library for SO(3) equivariant operations☆21Updated this week
- DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electr…☆54Updated 2 months ago
- Official code repository of paper Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency.☆16Updated last month
- ☆13Updated last year
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆45Updated last year
- repository and website for tutorials on 3d Euclidean equivariant neural networks☆67Updated 3 years ago
- jax library for E3 Equivariant Neural Networks☆199Updated 3 weeks ago
- ☆12Updated last year
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆31Updated 11 months ago
- Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling☆45Updated last week