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Model for n-powerfact

  • Description: This is a benchmark to evaluate how accurately an AI model can predict the n-doped Power Factor using the JARVIS-DFT (dft_3d) dataset. The dataset contains different types of chemical formula and atomic structures. Here we use mean absolute error (MAE) to compare models with respect to DFT accuracy.


Model benchmarks

Model nameDataset MAE Team name Dataset size Date submitted Notes
kgcnn_coGNdft_3d452.235kgcnn2321005-06-2023CSV, JSON,, Info
alignn_modeldft_3d442.2993ALIGNN2321001-14-2023CSV, JSON,, Info
kgcnn_schnetdft_3d495.4136kgcnn2321009-26-2023CSV, JSON,, Info
matminer_rfdft_3d475.0085UofT2321005-22-2023CSV, JSON,, Info
kgcnn_dimenetPPdft_3d568.8357kgcnn2321005-06-2023CSV, JSON,, Info
kgcnn_coNGNdft_3d456.6118kgcnn2321005-06-2023CSV, JSON,, Info
kgcnn_megnetdft_3d501.3722kgcnn2321005-06-2023CSV, JSON,, Info
kgcnn_cgcnndft_3d485.5895kgcnn2321009-26-2023CSV, JSON,, Info
matminer_xgboostdft_3d469.6279UofT2321005-22-2023CSV, JSON,, Info