Chemprop achieved an MAE of 15.5 nm, RMSE of 29.7 nm, and R 2 of 0.920 on our dataset of experimental absorption peak wavelengths across a diverse set of dye molecules in a variety of solvents. This was previously demonstrated to outperform state-of-the-art fingerprint-based methods . Our train-validation-test splitting for this task was constrained such that all