☆529Feb 23, 2022Updated 4 years ago
Alternatives and similar repositories for egnn
Users that are interested in egnn are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch☆521Dec 6, 2024Updated last year
- ☆558Jul 10, 2022Updated 3 years ago
- E(3) Steerable Graph Neural Network☆128Feb 10, 2023Updated 3 years ago
- A modular framework for neural networks with Euclidean symmetry☆1,244Feb 13, 2026Updated 2 months ago
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆277Feb 11, 2025Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- [ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".☆64Jun 27, 2024Updated last year
- code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503☆576Apr 3, 2026Updated last week
- Geometric Latent Diffusion Models for 3D Molecule Generation☆275Jun 9, 2023Updated 2 years ago
- A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks☆140Jan 14, 2022Updated 4 years ago
- ☆61Apr 10, 2022Updated 4 years ago
- Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure☆321Nov 15, 2025Updated 5 months ago
- Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein…☆289Dec 17, 2024Updated last year
- GEOM: Energy-annotated molecular conformations☆245Apr 24, 2022Updated 3 years ago
- Paper list for equivariant neural network☆1,088Aug 19, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- GemNet model in PyTorch, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆219Apr 26, 2023Updated 2 years ago
- ATOM3D: tasks on molecules in three dimensions☆318Mar 2, 2023Updated 3 years ago
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations☆336Updated this week
- Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.☆171Oct 8, 2023Updated 2 years ago
- Implementation of GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation (ICLR 2022).☆407May 17, 2023Updated 2 years ago
- GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)☆318Jun 13, 2025Updated 10 months ago
- The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)☆330Jan 10, 2024Updated 2 years ago
- A Euclidean diffusion model for structure-based drug design.☆500Jun 25, 2025Updated 9 months ago
- Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks (ICML …☆523Oct 9, 2025Updated 6 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design☆372Apr 17, 2024Updated last year
- Implementation for SE(3) diffusion model with application to protein backbone generation☆418Jul 3, 2023Updated 2 years ago
- A library for programmatically generating equivariant layers through constraint solving☆281May 8, 2023Updated 2 years ago
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆542Feb 19, 2025Updated last year
- Training neural network potentials☆472Mar 31, 2026Updated 2 weeks ago
- ☆26Jan 11, 2024Updated 2 years ago
- Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)☆281Feb 10, 2024Updated 2 years ago
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆70Nov 2, 2024Updated last year
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆53Jun 13, 2023Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- AI-powered ab initio biomolecular dynamics simulation☆573Feb 18, 2025Updated last year
- Neural Network Force Field based on PyTorch☆289Feb 10, 2026Updated 2 months ago
- Codebase for Cormorant Neural Networks☆60May 11, 2022Updated 3 years ago
- Implementation of E(n)-Transformer, which incorporates attention mechanisms into Welling's E(n)-Equivariant Graph Neural Network☆226Jun 2, 2024Updated last year
- EigenFold: Generative Protein Structure Prediction with Diffusion Models☆179Apr 6, 2023Updated 3 years ago
- NequIP is a code for building E(3)-equivariant interatomic potentials☆890Mar 25, 2026Updated 3 weeks ago
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆201Feb 12, 2023Updated 3 years ago