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Motif-based Graph Representation Learning with Application to Chemical Molecules
Journal article

Motif-based Graph Representation Learning with Application to Chemical Molecules

Yifei Wang, Shiyang Chen, Guobin Chen, Ethan Shurberg, Hang Liu and Pengyu Hong
12/05/2022

Abstract

Computer Science - Machine Learning FOS: Computer and information sciences graph neural network; molecular representation; molecular property prediction; graph matching; interpretability; motif-based pretraining; GPU-enabled accelerating artificial_intelligence_robotics Computer Networks and Communications Machine Learning (cs.LG) Human-Computer Interaction Communication

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