A Training and

All models were trained on single GPUs, except for SchNet when trained on OC20-2M, which required 3 GPUs. Tables 9-12 present the extended results on OC20 across the 4 separate S2EF validation sets. Table 9: Evaluation results on the OC20 S2EF in-distribution validation set. In Table 13, we present the performance and inference throughput of the baseline models on COLL. Table 13: Evaluation of the performance of the four baseline models on the COLL dataset.Inference COLL test set Throughput Samples / Energy MAE Force MAE Force cos EFwT Model GPU sec.