Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
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Updated
Aug 9, 2024 - Python
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
E(2)-Equivariant CNNs Library for Pytorch
A Euclidean diffusion model for structure-based drug design.
Implementation of E(n)-Equivariant Graph Neural Networks, in 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
[NeurIPS'22] Tokenized Graph Transformer (TokenGT), in PyTorch
Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.
Equivariant Steerable CNNs Library for Pytorch https://quva-lab.github.io/escnn/
DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
Implementation of E(n)-Transformer, which incorporates attention mechanisms into Welling's E(n)-Equivariant Graph Neural Network
[ECCV 2022] Official PyTorch Code of DEVIANT: Depth Equivariant Network for Monocular 3D Object Detection
Implementation of SE3-Transformers for Equivariant Self-Attention, in Pytorch. This specific repository is geared towards integration with eventual Alphafold2 replication.
Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding
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
Repo for "On Learning Symmetric Locomotion"
A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks
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