On the basis of the demand for predicting the properties of real-world OOMs, we selected key optical and redox properties such as the Highest Occupied Molecular Orbital Energy (HOMO), Lowest Unoccupied Molecular Orbital Energy (LUMO), Ionization Potential Energy (IP), Electron Affinity Energy (EA), and Energy of Absorption Maximum (Abs Max) as the prediction targets. Through finetuning with the thousands of DFT-level data points generated with O 2 -GEN, the correlation coefficient R 2 of all five properties between the predicted values of our selector and the DFT results all exceeded 0.88, with the mean absolute error (MAE) ranging from 0.04 to 0.13 eV. (For detailed calculation procedures, refer to the Method section, and see Supplementary Figure ) All of these results demonstrate that our selectors are capable of predicting related properties with QM accuracy.