equivariant-representations topic

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

octavian-ganea

Neural network potentials

torchmd

"Exploring Complementary Strengths of Invariant and Equivariant Representations for Few-Shot Learning" by Mamshad Nayeem Rizve, Salman Khan, Fahad Shahbaz Khan, Mubarak Shah (CVPR 2021)

nayeemrizve

[NAACL 2022] Robust (Controlled) Table-to-Text Generation with Structure-Aware Equivariance Learning.

luka-group

We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.

Thinklab-SJTU

Integrating Neural Ordinary Differential Equations, the Method of Lines, and Graph Neural Networks

YichengDWu

Official PyTorch implementation of Möbius Convolutions for Spherical CNNs [SIGGRAPH 2022].

twmitchel

Learning to design protein-protein interactions with enhanced generalization (ICLR24)

anton-bushuiev