As briefly mentioned, ArchOnML contains a KRR model for providing the ML predictions of the screening, which has, in a previous version, been used in excited state property predictions, before. The model itself will thus not be the focus of this work. Note, though, that the code building the model has been greatly re-fitted into the modular object-oriented style of ArchOnML, alongside generalizations of the original descriptors, now accounting for practically any molecular structure. The descriptor definitions used in this work are provided in section S3.2 of the ESI. The program code for the KRR model itself is imported from the scikit-learn python package.