When the pre-trained model exhibits perfect generalizability to the test dataset, the PCC approaches +1. Catalysis specific databases such as TiNet, AGRA, OCP20 have well defined training and test splits. For the generalizability study, we train a model on a specific train set (e.g ., TinNet N) and test the model on test sets of all the databases (such as TinNet N, AGRA OH, OCP20 etc.). Note that unified models such as ALIGNN-FF model was trained on bulk materials data and different DFT computational parameters, but we test that model here as well. The PCC values for the generalizability study is shown in Taking O and OH systems as an example, there is only a single hydrogen difference between the O and OH systems.