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PhAST: Physics-Aware, Scalable, and Task-specific GNNs for Accelerated Catalyst Design

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Bibliographic Details
Main Authors:	Duval, Alexandre, Schmidt, Victor, Miret, Santiago, Bengio, Yoshua, Hernández-García, Alex, Rolnick, David
Format:	Preprint
Published:	2022
Subjects:	Machine Learning Computational Physics
Online Access:	Acceder al recurso
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