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FragNet: A Graph Neural Network for Molecular Property Prediction with Four Layers of Interpretability
16 October 2024
G. Panapitiya
Peiyuan Gao
C Mark Maupin
Emily Saldanha
AI4CE
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Papers citing
"FragNet: A Graph Neural Network for Molecular Property Prediction with Four Layers of Interpretability"
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Title
Integrating Graph Neural Networks and Many-Body Expansion Theory for Potential Energy Surfaces
Siqi Chen
Zhiqiang Wang
Xianqi Deng
Yili Shen
C. Ju
...
Lin Xiong
Guo Ling
Dieaa Alhmoud
Hui Guan
Zhou Lin
24
0
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03 Nov 2024
1