Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Capturing Molecular Interactions in Graph Neural Networks: A Case Study in Multi-Component Phase Equilibrium
, Authors:
Shiyi Qin, Shengli Jiang, Jianping Li, Prasanna Balaprakash, Reid Van Lehn, Victor Zavala
Version 2 posted 23 September 2022
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