In addition, a similar data cleaning procedure was employed on the OC20 dataset to create a new dataset named OC20-LMAE, which comprises surface/adsorbate pairings along with their local minimum adsorption energies (LMAE). The data points with anomalies (adsorbate dissociation, surface reconstruction, etc.) are removed. The OC20-LMAE dataset contains 363,937 data points and serves as an effective resource for model pretraining. Specifically, its training set consists of 345,254 data points, while the validation set comprises 18,683 data points. Further detailed descriptions of the datasets are provided in the Supplementary Note 1.