GitHub

Geometric Graph U-Nets for Multi-Scale Protein Structure Modelling

Code for the paper "Multi-Scale Protein Structure Modelling with Geometric Graph U-Nets", by Chang Liu*, Vivian Li*, Linus Leong, Vladimir Radenkovic, Pietro Liò, and Chaitanya K. Joshi (*Equal ...
Frontiers

Geometry-enhanced graph neural networks accelerate circRNA therapeutic target discovery

Circular RNAs (circRNAs) play pivotal roles in various biological processes and disease progression, particularly in modulating drug responses and resistance mechanisms. Accurate prediction of circRNA ...
IEEE

Generalization of Geometric Graph Neural Networks With Lipschitz Loss Functions

Abstract: In this paper, we study the generalization capabilities of geometric graph neural networks (GNNs). We consider GNNs over a geometric graph constructed from a finite set of randomly sampled ...
mccormick.northwestern.edu

The Geometric Code: Genome’s 3D Shape Functions as the Living Computer that Enabled Complex Life

Decades of research has viewed DNA as a sequence-based instruction manual; yet every cell in the body shares the same genes – so where is the language that writes the memory of cell identities?
GitHub

Empowering Active Learning for 3D Molecular Graphs with Geometric Graph Isomorphism

This repository contains the PyTorch implementation of the paper "Empowering Active Learning for 3D Molecular Graphs with Geometric Graph Isomorphism", R.Subedi, L.Wei, W.Gao, S.Chakraborty., Y.Liu.
C&EN

ProtGeoNet-Pocket: A Binding Site Prediction Approach Integrating Sequence, Geometry, and Graph Structure

School of Information and Control Engineering, Qingdao University of Technology, No. 777 Jialingjiang East Road, Huangdao District, Qingdao, Shandong 266520, China ...