How Graph Neural Network Interatomic Potentials Extrapolate: Role of the message-passing algorithm

Name: How Graph Neural Network Interatomic Potentials Extrapolate: Role of the message-passing algorithm
Published: 2024-08-05T13:49:08+08:00

Figshare2024-08-05 更新2026-04-28 收录

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Supplementary data regarding the graph neural network interatomic potential paper

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2024-08-05