HiPoly: a hierarchical polymer-native AI framework for property prediction and generative design
HiPoly is introduced, a polymer-native AI framework that processes complete polymer descriptions through a three-level hierarchical graph architecture built on the G2RINS representation, demonstrating how polymer-native AI can accelerate discovery by linking representation, prediction, and design across complex polymer...
Ge Sun, G. Zaldivar, Yuan Tian et al.
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