[34]. Among the models using the same training dataset in the OCP20 and OCP22 leaderboards, ALIGNN is by far the best performing model in most cases [34, . We find that ALIGNN outperforms many other GNN models such as CGCNN , DimeNet , DimeNet++ , SchNet , coGN , PaiNN etc. for OCP20-10k, OCP20-100k, OCP20-all (510,214 entries) as well as the latest OCP22-direct only (45,890 entries) datasets. All of these datasets have well defined training-validation-test splits as described in the open catalyst project .