equivariance

Open-source projects categorized as equivariance
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Language: + Python + Jupyter Notebook + Roff
Topics: graph-neural-networks proteins Machine Learning Geometry Pytorch
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featured

Top 6 equivariance Open-Source Projects

  • e2cnn

    E(2)-Equivariant CNNs Library for Pytorch

  • EquiBind

    EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

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  • geometric-gnn-dojo

    Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.

  • DiffSBDD

    A Euclidean diffusion model for structure-based drug design.

  • DiffLinker

    DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design

  • equidock_public

    EquiDock: geometric deep learning for fast rigid 3D protein-protein docking

NOTE: The open source projects on this list are ordered by number of github stars. The number of mentions indicates repo mentiontions in the last 12 Months or since we started tracking (Dec 2020).

equivariance related posts

  • Gentle Introduction to Geometric Graph Neural Networks

    2 projects | news.ycombinator.com | 1 Feb 2023

  • A Program to Build E(N)-Equivariant Steerable CNNs - Link to a free online lecture by the author in comments

    1 project | /r/learnmachinelearning | 23 Feb 2022

Index

What are some of the best open-source equivariance projects? This list will help you:

Project Stars
1 e2cnn 583
2 EquiBind 452
3 geometric-gnn-dojo 422
4 DiffSBDD 290
5 DiffLinker 252
6 equidock_public 223

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