gerkone / segnn-jaxLinks
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
Sorting:
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.☆36Updated 4 months ago
- Equivariant machine learning interatomic potentials in JAX.☆73Updated 2 months ago
- Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"☆14Updated 4 years ago
- ☆22Updated 2 months ago
- Tools for building equivariant polynomials on reductive Lie groups.☆34Updated 2 years ago
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆23Updated 4 months ago
- Implementation of various equivariant models in JAX☆12Updated last year
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆108Updated 3 months ago
- Robust NN MD simulator☆20Updated last year
- [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators☆14Updated 4 months ago
- Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-f…☆30Updated last year
- ☆23Updated last year
- Higher order equivariant graph neural networks for 3D point clouds☆40Updated 2 years ago
- SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.☆24Updated last year
- C++/CUDA library for SO(3) equivariant operations☆25Updated last week
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆31Updated last year
- DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electr…☆57Updated 2 months ago
- ☆12Updated last year
- Training Neural Network potentials through customizable routines in JAX.☆36Updated 3 weeks ago
- Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0☆14Updated last month
- ☆30Updated 2 years ago
- ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"☆39Updated 2 years ago
- An implementation of SchNet in JAX and JAX-MD.☆17Updated 3 years ago
- Huxel: Huckel model + JAX (parameter optimization)☆10Updated 2 years ago
- Implementation of the Euclidean fast attention (EFA) algorithm☆54Updated this week
- Nomalizing flows for orbita-free DFT☆10Updated 9 months ago
- A JAX library for Density Functional Theory.☆54Updated 3 weeks ago
- CUDA implementations of MACE models☆15Updated 5 months ago
- Molecular mechanics systems and simulation data☆16Updated last year
- N-Dimensional MD engine with symmetry group constraints written in C☆48Updated 11 months ago