smsharma / eqnn-jaxLinks
Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
☆40Updated 9 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.☆110Updated 8 months ago
- ☆22Updated 7 months ago
- Equivariant machine learning interatomic potentials in JAX.☆81Updated this week
- Steerable E(3) GNN in jax☆24Updated 2 years ago
- Higher order equivariant graph neural networks for 3D point clouds☆46Updated 2 years ago
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆28Updated 10 months ago
- Tools for building equivariant polynomials on reductive Lie groups.☆36Updated 2 years ago
- E(n) Equivariant GNN in jax☆14Updated 2 years ago
- jax library for E3 Equivariant Neural Networks☆221Updated 4 months ago
- SE(3) Equivariant Augmented Coupling Flows. NeurIPS 2023.☆24Updated last year
- ☆34Updated 3 years ago
- [ICML 2025] Repurposing pre-trained score-based generative models for transition path sampling by minimizing the Onsager-Machlup (OM) act…☆24Updated last month
- ☆23Updated 2 years ago
- ☆12Updated 2 years ago
- Implementation of the Euclidean fast attention (EFA) algorithm☆57Updated 3 months ago
- Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0☆17Updated last month
- MESS: Modern Electronic Structure Simulations☆43Updated 3 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 8 months ago
- Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling☆54Updated 9 months ago
- ☆13Updated last year
- An implementation of SchNet in JAX and JAX-MD.☆17Updated 3 years ago
- CUDA implementations of MACE models☆20Updated 4 months ago
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆36Updated last year
- ☆12Updated last year
- Library for efficient training and application of Machine Learning Interatomic Potentials (MLIP)☆74Updated 2 weeks ago
- Implementation of various equivariant models in JAX☆12Updated last year
- Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-f…☆31Updated last year
- [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget.☆54Updated 2 weeks ago
- Particle-mesh based calculations of long-range interactions in JAX☆19Updated last week
- Build neural networks for machine learning force fields with JAX☆129Updated 6 months ago