Another natural extension to this work involves combining our AdsMT with MLIP and DFT calculations for catalyst screening in specific reactions. Each catalyst crystal can generate a large number of surface structures due to varying Miller indices and absolute positions of surface planes. AdsMT can be appointed for rapid preliminary screening in huge catalyst libraries and pinpoint a small range of candidate catalyst surfaces with desired GMAE and low uncertainty. Afterwards, MLIP and DFT methods are used to calculate the precise GMAE of the candidate surfaces relative to key reaction intermediates and compared with the optimal adsorption energies according to the Sabatier principle. This strategy holds promise for significantly reducing computational costs while achieving reliable virtual catalyst screening.