Official implementation of HEGNN, a novel high-degree equivariant graph neural network proposed in the NeurIPS 2024 paper 'Are High-Degree Representations Really Unnecessary in Equivariant Graph Neural Networks?'
☆34Nov 8, 2024Updated last year
Alternatives and similar repositories for HEGNN
Users that are interested in HEGNN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [ICML 2024] Official implementation of FastEGNN: Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes …☆32Jun 25, 2025Updated last year
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆75Mar 5, 2026Updated 7 months ago
- Open-source code for GEAR☆16Dec 3, 2025Updated 10 months ago
- Official implement of SPHNet and WANet☆20Dec 16, 2025Updated 9 months ago
- [ICML'25] The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products☆20Jul 16, 2025Updated last year
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- This is the official repository for our paper "UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules" published in ICML…☆19Apr 14, 2026Updated 5 months ago
- [ICML2025] The official implementation of "WGFormer: An SE(3)-Transformer Driven by Wasserstein Gradient Flows for Molecular Ground-State…☆31Mar 18, 2026Updated 6 months ago
- ☆142Jun 17, 2025Updated last year
- 🌟 [NeurIPS '25 Spotlight] Official implement of QHFlow for DFT Hamiltonian prediction☆32Dec 6, 2025Updated 10 months ago
- [NeurIPS 2024] The implementation for the paper "Geometric Trajectory Diffusion Models".☆40Jul 22, 2025Updated last year
- Code for paper E(n)-Equivariant Topological Neural Networks☆41Nov 28, 2024Updated last year
- Unofficial implementation of GotenNet, new SOTA 3d equivariant transformer, in Pytorch☆68Apr 7, 2025Updated last year
- Official code repository of paper Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency.☆20Jan 18, 2025Updated last year
- ☆13Nov 2, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".☆33Oct 5, 2023Updated 3 years ago
- A collection of Python scripts for computing physical properties and analyzing trajectories from molecular dynamics simulations.☆21Oct 12, 2025Updated 11 months ago
- [NeurIPS 2025 Spotlight] E2Former: An Efficient and Equivariant Transformer with Linear-Scaling Tensor Products☆31Sep 2, 2026Updated last month
- Official implementation for "Revisiting Discriminative vs. Generative Classifiers: Theory and Implications".☆14Feb 7, 2023Updated 3 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…☆16Dec 18, 2025Updated 9 months ago
- Controllable Multi-Objective Re-ranking with Policy Hypernetworks (KDD 2023)☆42Oct 6, 2024Updated 2 years ago
- An implementation of the Equivariant Graph Neural Network (EGNN) layer type for DGL-PyTorch.☆15Dec 27, 2022Updated 3 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated 2 years ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆52May 4, 2026Updated 5 months ago
- AI Agents on 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.
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆74Nov 2, 2024Updated last year
- ☆15Updated this week
- [ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".☆66Jun 27, 2024Updated 2 years ago
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆352Apr 10, 2026Updated 5 months ago
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆30Feb 24, 2025Updated last year
- [CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"☆39Aug 20, 2025Updated last year
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆122Mar 9, 2026Updated 7 months ago
- [ICML2025] The official implementation of "PolyConf: Unlocking Polymer Conformation Generation through Hierarchical Generative Models"☆37Mar 18, 2026Updated 6 months ago
- Subgraphormer: Unifying Subgraph GNNs and Graph Transformers via Graph Products (ICML 2024)☆11Jul 13, 2024Updated 2 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- ☆47Oct 17, 2025Updated 11 months ago
- ☆19Aug 8, 2024Updated 2 years ago
- [CIKM2023] The official implementation of "MPerformer: An SE(3) Transformer-based Molecular Perceptron"☆27Nov 12, 2024Updated last year
- Triplet Graph Transformer☆54Sep 17, 2025Updated last year
- ☆20Aug 5, 2024Updated 2 years ago
- E(3) equivariant graph neural network for PPI site prediction☆11Sep 18, 2023Updated 3 years ago
- ☆35Feb 12, 2025Updated last year