e3nn / e3nn-jaxView external linksLinks
jax library for E3 Equivariant Neural Networks
☆224Aug 25, 2025Updated 5 months ago
Alternatives and similar repositories for e3nn-jax
Users that are interested in e3nn-jax are comparing it to the libraries listed below
Sorting:
- Equivariant machine learning interatomic potentials in JAX.☆83Feb 2, 2026Updated last week
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆110Apr 7, 2025Updated 10 months ago
- Compute neighbor lists for atomistic systems☆73Updated this week
- ☆23Nov 1, 2023Updated 2 years ago
- A modular framework for neural networks with Euclidean symmetry☆1,218Updated this week
- ☆22May 7, 2025Updated 9 months ago
- cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffD…☆359Updated this week
- Build neural networks for machine learning force fields with JAX☆132Jun 2, 2025Updated 8 months ago
- train and use graph-based ML models of potential energy surfaces☆121Dec 19, 2025Updated last month
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.☆41Mar 1, 2025Updated 11 months ago
- NequIP is a code for building E(3)-equivariant interatomic potentials☆862Feb 8, 2026Updated last week
- MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.☆1,051Updated this week
- Higher order equivariant graph neural networks for 3D point clouds☆46Jun 27, 2023Updated 2 years ago
- Pure C implementation of e3nn☆24Mar 17, 2025Updated 10 months ago
- A collection of QM data for training potential functions☆189Feb 18, 2025Updated 11 months ago
- Differentiable, Hardware Accelerated, Molecular Dynamics☆1,372Jan 23, 2026Updated 3 weeks ago
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆93Feb 6, 2026Updated last week
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆68Nov 2, 2024Updated last year
- MESS: Modern Electronic Structure Simulations☆43Sep 26, 2025Updated 4 months ago
- ☆118Feb 8, 2026Updated last week
- Steerable E(3) GNN in jax☆24Oct 1, 2023Updated 2 years ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆89Jan 28, 2026Updated 2 weeks ago
- An implementation of SchNet in JAX and JAX-MD.☆17Apr 5, 2022Updated 3 years ago
- ☆42Jan 27, 2026Updated 2 weeks ago
- GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine l…☆112Feb 13, 2024Updated 2 years ago
- scalable molecular simulation☆140Oct 13, 2025Updated 4 months ago
- ☆12Oct 10, 2023Updated 2 years ago
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆269Feb 11, 2025Updated last year
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆96Jan 28, 2026Updated 2 weeks ago
- An easy (and fast) API for popular 3D molecular datasets!☆32Updated this week
- Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials☆461Dec 23, 2025Updated last month
- ORB forcefield models from Orbital Materials☆541Feb 6, 2026Updated last week
- OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.☆127Updated this week
- Implementation of various equivariant models in JAX☆12Apr 12, 2024Updated last year
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆58Sep 26, 2025Updated 4 months ago
- Implementation of the Euclidean fast attention (EFA) algorithm☆60Jan 7, 2026Updated last month
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆28Feb 24, 2025Updated 11 months ago
- JAX implementation of the NequIP neural network interatomic potential☆14Jul 23, 2025Updated 6 months ago
- Training neural network potentials☆466Jan 26, 2026Updated 2 weeks ago