We screen the 250k molecules considered in Wilbraham et al. for sensitizers and emitters, to demonstrate the applicability of xTB-ML to high-throughput screening. We use the Class 2 xTB-ML-300k model as it is the most accurate for the MOPSSAM dataset. First, we calibrate S 1 and T 1 energies using the ML model, and compare the results to the linear calibration done in the original work. The results are shown in Figure ).