We performed our analysis on a combination of five data sources, which comprised a total of 28,734 measurements (of which 26,623 were unique dye-solvent pairs). Of these 28,734, there were 1,870 included in more than one data source. The combined dataset contained 15,157 unique dyes and 364 unique solvents. Ten of the solvents were used in 1,000 or more measurements. The breakdown of our data by source and by solvent is represented in Tables and. The maximum absorption wavelengths of the dyes represented in our dataset cover the en-tire visible spectrum and extend into the ultraviolet and near-infrared regions. The molecules in the dataset include many of the common dye substructures and families. Figure We used TD-DFT to calculate the vertical excitation energies for 10,947 molecules in vacuum and 6,707 molecules with solvent corrections corresponding to the solvent measurements available in the experimental dataset. Since some molecules were measured in multiple solvents experimentally, the total number of experimental measurements with a corresponding vacuum TD-DFT calculation was 19,409. The results of these calculations are compared to experiments in Figure . Solvent corrections applied to TD-DFT yield results that have a smaller error than vacuum calculations with respect to the experimental ground truth. However, after fitting a linear regression to both sets of calculations, the error for the vacuum calculations is lower. Therefore, this systematic error of the vacuum calculations makes it suitable to use the results of the vacuum calculations as features for building our models. Although the combination of vacuum TD-DFT and a simple linear model performs well with respect to the experimental ground truth (MAE = 24.9 nm), the computational cost of TD-DFT may limit its applicability on large datasets. Nevertheless, this sets a baseline for the accuracy of computational methods in general when predicting this property.