Building Blocks for Equivariant Neural Networks in e3nn and PyTorch 2.0
☆18Nov 16, 2025Updated 3 months ago
Alternatives and similar repositories for e3tools
Users that are interested in e3tools are comparing it to the libraries listed below
Sorting:
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆28Feb 24, 2025Updated last year
- An easy (and fast) API for popular 3D molecular datasets!☆43Updated this week
- Implementation of the Euclidean fast attention (EFA) algorithm☆61Jan 7, 2026Updated last month
- Pure C implementation of e3nn☆24Mar 17, 2025Updated 11 months ago
- JAX implementation of the NequIP neural network interatomic potential☆16Feb 24, 2026Updated last week
- OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.☆130Updated this week
- ☆22May 7, 2025Updated 9 months ago
- PaiNN in jax☆11Jan 14, 2025Updated last year
- Implementation of various equivariant models in JAX☆12Apr 12, 2024Updated last year
- [ICML'25] The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products☆15Jul 16, 2025Updated 7 months ago
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆69Nov 2, 2024Updated last year
- MiniFold: Simple, Fast and Accurate Protein Structure Prediction☆83Jul 10, 2025Updated 7 months ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆59Sep 26, 2025Updated 5 months ago
- Implicit Convolutional Kernels for Steerable CNNs [NeurIPS'23]☆30Feb 25, 2025Updated last year
- Tools for building equivariant polynomials on reductive Lie groups.☆36Jun 29, 2023Updated 2 years ago
- ☆12Nov 22, 2024Updated last year
- Erwin: A Tree-based Hierarchical Transformer for Large-scale Physical Systems [ICML'25]☆111Oct 11, 2025Updated 4 months ago
- ☆19Dec 11, 2024Updated last year
- ☆12May 10, 2024Updated last year
- Package of useful sampling algorithms written in MLX.☆17Feb 27, 2024Updated 2 years ago
- Calculate observables from neural network-based VMC (NN-VMC).☆17Apr 16, 2025Updated 10 months ago
- [ICML 2025] Repurposing pre-trained score-based generative models for transition path sampling by minimizing the Onsager-Machlup (OM) act…☆26Jan 14, 2026Updated last month
- Joint embedding of protein sequence and structure with discrete and continuous compressions of protein folding model latent spaces. http:…☆150Apr 16, 2025Updated 10 months ago
- Official repository for the paper "Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing".☆18Dec 4, 2025Updated 3 months ago
- Time-reversal Euclidean neural networks based on e3nn☆17Sep 29, 2024Updated last year
- jax library for E3 Equivariant Neural Networks☆224Aug 25, 2025Updated 6 months ago
- Official code repository of paper Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency.☆19Jan 18, 2025Updated last year
- ☆131May 7, 2024Updated last year
- cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffD…☆367Feb 17, 2026Updated 2 weeks ago
- GeoT: Tensor Centric Library for Graph Neural Network via Efficient Segment Reduction on GPU☆24Mar 27, 2025Updated 11 months ago
- Differentiable RNA folding in JAX☆27Mar 25, 2025Updated 11 months ago
- A Text-guided Protein Design Framework, Nat Mach Intell 2025 (https://www.nature.com/articles/s42256-025-01011-z)☆101Jan 11, 2025Updated last year
- ☆23Nov 2, 2024Updated last year
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆54Jun 19, 2025Updated 8 months ago
- MESS: Modern Electronic Structure Simulations☆20Sep 24, 2024Updated last year
- Steerable E(3) GNN in jax☆24Oct 1, 2023Updated 2 years ago
- Protein-Ligand Benchmark Dataset for Free Energy Calculations☆216Jul 29, 2024Updated last year
- Fast, Expressive SE(n) Equivariant Networks through Weight-Sharing in Position-Orientation Space.☆88May 30, 2024Updated last year
- Dataset and package for working with protein-protein interactions in 3D☆105Apr 28, 2025Updated 10 months ago