gerkone / segnn-jax
Steerable E(3) GNN in jax
☆24Updated last year
Alternatives and similar repositories for segnn-jax:
Users that are interested in segnn-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
- Tools for building equivariant polynomials on reductive Lie groups.☆29Updated last year
- Higher order equivariant graph neural networks for 3D point clouds☆35Updated last year
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆16Updated this week
- ☆21Updated 10 months ago
- ☆22Updated last year
- Equivariant machine learning interatomic potentials in JAX.☆69Updated last year
- Implementation of various equivariant models in JAX☆12Updated 10 months ago
- A repo to finetune NNIPs by training on observables☆13Updated 10 months ago
- C++/CUDA library for SO(3) equivariant operations☆21Updated this week
- Huxel: Huckel model + JAX (parameter optimization)☆10Updated 2 years ago
- Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"☆14Updated 4 years ago
- E(n) Equivariant GNN in jax☆11Updated last year
- Molecular mechanics systems and simulation data☆15Updated 8 months ago
- ☆12Updated last year
- Pure C implementation of e3nn☆17Updated 3 months ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆45Updated last year
- ☆27Updated 2 years ago
- An implementation of SchNet in JAX and JAX-MD.☆17Updated 2 years ago
- Implementation of the Euclidean fast attention (EFA) algorithm☆44Updated 3 weeks ago
- SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.☆25Updated 10 months ago
- Robust NN MD simulator☆20Updated 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
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆31Updated 11 months ago
- This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.☆18Updated 2 years ago
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Updated 4 months ago
- Training Neural Network potentials through customizable routines in JAX.☆22Updated this week
- ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"☆35Updated 2 years ago
- GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆25Updated last year
- [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆31Updated last week