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What drives performance in molecular MPNNs? An operator-level factorial benchmark

Fuente: arXiv

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Bibliographic Details
Main Authors:	Jiao, Panyu, Chen, Shuizhou, Shen, Yiheng, Wang, Yuyang, Ouyang, Runhai, Xie, Wei
Format:	Preprint
Published:	2026
Subjects:	Materials Science Artificial Intelligence Machine Learning
Online Access:	Acceder al recurso
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