<> "The repository administrator has not yet configured an RDF license."^^ . <> . . . "Node-aware convolution in Graph Neural Networks for Predicting molecular properties"^^ . "Molecular property prediction is a challenging task which aims to solve various issues of science namely drug discovery, materials discovery. It focuses on understanding the structure-property relationship between atoms in a molecule. Previous approaches have to face difficulties dealing with the various structure of the molecule as well as heavy computational time. Our model, in particular, utilizes the idea of message passing neural network and Schnet on the molecular graph with enhancement by adding the Node-aware Convolution and Edge Update layer in order to acquire the local information of the graph and to propagate interaction between atoms. Through experiments, our model has been shown the outperformance with previous deep learning methods in predicting quantum mechanical, calculated molecular properties in the QM9 dataset and magnetic interaction of two atoms in molecules approaches."^^ . "2020-10" . . . . . . . . . . . . . . . . . "Quang Bach"^^ . "Tran"^^ . "Quang Bach Tran"^^ . . "Pham Van Linh"^^ . "Le"^^ . "Pham Van Linh Le"^^ . . "Quoc Long"^^ . "Tran"^^ . "Quoc Long Tran"^^ . . "Tien Lam"^^ . "Pham"^^ . "Tien Lam Pham"^^ . . . . "KNOWLEDGE AND SYSTEMS ENGINEERING (KSE 2020)"^^ . . . . . . "Node-aware convolution in Graph Neural Networks for Predicting molecular properties (PDF)"^^ . . . "KSE.pdf"^^ . . . "Node-aware convolution in Graph Neural Networks for Predicting molecular properties (Other)"^^ . . . . . . "preview.jpg"^^ . . . "Node-aware convolution in Graph Neural Networks for Predicting molecular properties (Other)"^^ . . . . . . "medium.jpg"^^ . . . "Node-aware convolution in Graph Neural Networks for Predicting molecular properties (Other)"^^ . . . . . . "small.jpg"^^ . . "HTML Summary of #4220 \n\nNode-aware convolution in Graph Neural Networks for Predicting molecular properties\n\n" . "text/html" . . . "Information Technology (IT)"@en . .