MD-GNN: A mechanism-data-driven graph neural network for molecular properties prediction and new material discovery

Author:

Chen Saian,Wulamu Aziguli,Zou Qiping,Zheng Han,Wen Li,Guo Xi,Chen Han,Zhang Taohong,Zhang Ying

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference42 articles.

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