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Model for pld

  • Description: This is a benchmark to evaluate how accurately an AI model can predict the pore-limiting diameters (in Angstrom) using the hMOF dataset. The dataset contains different types of hypothetical metal organic frameworks. 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_modelhmof0.9198ALIGNN13765101-14-2023CSV, JSON,, Info
matminer_rfhmof0.6044UofT13765105-22-2023CSV, JSON,, Info
matminer_xgboosthmof0.5728UofT13765105-22-2023CSV, JSON,, Info