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Model for TinNet Oxygen dataset

  • Description: This is a benchmark to evaluate how accurately an AI model can predict the energy of adsorption of O using the TinNet dataset. The dataset contains different types of heterogeneous catalysts. 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_modeltinnet_O0.3694ALIGNN74501-14-2023CSV, JSON,, Info