"PhAST: Physics-Aware, Scalable, and Task-Specific GNNs for Accelerated ..."

Alexandre Duval et al. (2024)

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type: Journal Article

metadata version: 2024-09-16

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Alexandre Duval, Victor Schmidt, Santiago Miret, Yoshua Bengio, Alex Hernández-García, David Rolnick:
PhAST: Physics-Aware, Scalable, and Task-Specific GNNs for Accelerated Catalyst Design. J. Mach. Learn. Res. 25: 106:1-106:26 (2024)

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