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PhAST: Physics-Aware, Scalable, and Task-Specific GNNs for Accelerated Catalyst Design 期刊论文
JOURNAL OF MACHINE LEARNING RESEARCH, 2024, 卷号: 25
作者:  Duval, Alexandre;  Schmidt, Victor;  Miret, Santiago;  Bengio, Yoshua;  Hernandez-Garcia, Alex;  Rolnick, David
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