Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Applying Large Graph Neural Networks to Predict Transition Metal Complex Energies Using the tmQM_wB97MV Dataset
, Authors:
Aaron Garrison, Javier Heras-Domingo, John Kitchin, Gabriel Gomes, Zachary Ulissi, Samuel Blau
Version 2 posted 09 November 2023
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