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Model for surface_area_m2cm3

  • Description: This is a benchmark to evaluate how accurately an AI model can predict the surface area (m^2*cm^-3) 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_modelhmof107.8081ALIGNN13765101-14-2023CSV, JSON,, Info
matminer_rfhmof92.8634UofT13765105-22-2023CSV, JSON,, Info
matminer_xgboosthmof83.3575UofT13765105-22-2023CSV, JSON,, Info