Table 2. We report the percentage deviation of neural network predicted reorganization energies λ_NN,β from TDDFT (PBE0/3-21G) calculated reorganization energies λ_TDDFT as σ_λ = |λ_TDDFT – λ_NN,β|/λ_TDDFT, where β indicates the method used for Coulomb matrix selections. Results are given in percent (%).

Method (β)	Random	Frobenius	Taxicab	Correlation
σ λ [%]	70.0	54.9	53.4	46.6