E(3) Steerable Graph Neural Network
☆127Feb 10, 2023Updated 3 years ago
Alternatives and similar repositories for Steerable-E3-GNN
Users that are interested in Steerable-E3-GNN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆276Feb 11, 2025Updated last year
- ☆526Feb 23, 2022Updated 4 years ago
- ☆34Feb 12, 2025Updated last year
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆69Nov 2, 2024Updated last year
- Paper list for equivariant neural network☆1,085Aug 19, 2024Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆26Jan 11, 2024Updated 2 years ago
- Fast, Expressive SE(n) Equivariant Networks through Weight-Sharing in Position-Orientation Space.☆91May 30, 2024Updated last year
- GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆217Apr 26, 2023Updated 2 years ago
- A modular framework for neural networks with Euclidean symmetry☆1,228Feb 13, 2026Updated last month
- code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503☆574Jul 10, 2023Updated 2 years ago
- Steerable E(3) GNN in jax☆24Oct 1, 2023Updated 2 years ago
- Official implementation of pre-training via denoising for TorchMD-NET☆99Mar 2, 2023Updated 3 years ago
- [TMLR 2023] Training and simulating MD with ML force fields☆115Oct 30, 2024Updated last year
- Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch☆520Dec 6, 2024Updated last year
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Generate and predict molecular electron densities with Euclidean Neural Networks☆49Sep 22, 2023Updated 2 years ago
- dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by machine learning m…☆15Dec 18, 2025Updated 3 months ago
- [ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".☆64Jun 27, 2024Updated last year
- Higher order equivariant graph neural networks for 3D point clouds☆46Jun 27, 2023Updated 2 years ago
- repository and website for tutorials on 3d Euclidean equivariant neural networks☆79Feb 24, 2021Updated 5 years ago
- Training neural network potentials☆470Mar 17, 2026Updated last week
- Neural Network Force Field based on PyTorch☆288Feb 10, 2026Updated last month
- NequIP is a code for building E(3)-equivariant interatomic potentials☆885Updated this week
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆86May 6, 2022Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- jax library for E3 Equivariant Neural Networks☆225Aug 25, 2025Updated 7 months ago
- A library for programmatically generating equivariant layers through constraint solving☆281May 8, 2023Updated 2 years ago
- ☆12Jan 9, 2024Updated 2 years ago
- Fork of the E2CNN library that adds support for equivariant partial differential operators☆17Apr 29, 2022Updated 3 years ago
- Official code repository of paper Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency.☆19Jan 18, 2025Updated last year
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆49Jan 24, 2022Updated 4 years ago
- DimeNet and DimeNet++ models, as proposed in "Directional Message Passing for Molecular Graphs" (ICLR 2020) and "Fast and Uncertainty-Awa…☆352Oct 3, 2023Updated 2 years ago
- Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks (ICML …☆522Oct 9, 2025Updated 5 months ago
- Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.☆172Oct 8, 2023Updated 2 years ago
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- TFN layers built using Tensorflow 2☆15Jul 15, 2021Updated 4 years ago
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆691Jan 7, 2026Updated 2 months ago
- ATOM3D: tasks on molecules in three dimensions☆318Mar 2, 2023Updated 3 years ago
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.☆42Mar 1, 2025Updated last year
- ☆25Dec 6, 2025Updated 3 months ago
- Python calculator for the Wigner D matrices, Clebsch-Gordan coefficients, hydrogen atoms, and irreducible representations of the Lorentz …☆11Mar 22, 2023Updated 3 years ago
- The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)☆36Oct 15, 2022Updated 3 years ago