Applying Large Graph Neural Networks to Predict Transition Metal Complex Energies Using the tmQM_wB97MV Data Set.
Aaron G. GarrisonJavier Heras-DomingoJohn R. KitchinGabriel dos Passos GomesZachary W. UlissiSamuel M. BlauPublished in: J. Chem. Inf. Model. (2023)
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