Three new GMAE datasets, named Alloy-GMAE, FG-GMAE and OCD-GMAE, were built from Catalysis Hub , 'functional groups' (FG)-dataset , and OC20-Dense datasets, respectively. Each of the source datasets enumerated all adsorption sites on surfaces and performed DFT calculations on various possible adsorption configurations. The data cleaning was conducted to remove abnormal adsorption structures and take the lowest adsorption energy of all conformations as the GMAE target for each surface/adsorbate combination. Each data point in the datasets represents a unique combination of catalyst surface and adsorbate. Random splitting is adopted on three datasets during the model evaluation.