Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
A Euclidean diffusion model for structure-based drug design.
Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch
E(2)-Equivariant CNNs Library for Pytorch
A curated collection of resources and research related to the geometry of representations in the brain, deep networks, and beyond
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
Equivariant Steerable CNNs Library for Pytorch https://quva-lab.github.io/escnn/
[NeurIPS'22] Tokenized Graph Transformer (TokenGT), in PyTorch
Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks (ICML 2023)
Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
[ECCV 2022] Official PyTorch Code of DEVIANT: Depth Equivariant Network for Monocular 3D Object Detection
Implementation of E(n)-Transformer, which incorporates attention mechanisms into Welling's E(n)-Equivariant Graph Neural Network
Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding
Implementation of SE3-Transformers for Equivariant Self-Attention, in Pytorch. This specific repository is geared towards integration with eventual Alphafold2 replication.
A library for programmatically generating equivariant layers through constraint solving
Implementation of Geometric Vector Perceptron, a simple circuit for 3d rotation equivariance for learning over large biomolecules, in Pytorch. Idea proposed and accepted at ICLR 2021
Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
Repo for "On Learning Symmetric Locomotion"
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