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Model for open catalyst project all is2re dataset

  • Description: This is a benchmark to evaluate how accurately an AI model can predict the relaxed energy using the entire Open Catalyst Project IS2RE dataset. Here we use mean absolute error (MAE) to compare models with respect to DFT accuracy. External links:


Model benchmarks

Model nameDataset MAE Team name Dataset size Date submitted Notes
alignn_modelocp_all0.5989ALIGNN51021401-14-2023CSV, JSON,, Info
ocp_schnet_allocp_all0.6469OCP51021401-14-2023CSV, JSON,, Info