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Model for dfpt_piezo_max_dij

  • Description: This is a benchmark to evaluate how accurately an AI model can predict the maximum piezoelectric strain tensor 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_3d15.2235kgcnn334505-06-2023CSV, JSON,, Info
cgcnn_modeldft_3d16.0135CGCNN334501-14-2023CSV, JSON,, Info
alignn_modeldft_3d20.5705ALIGNN334501-14-2023CSV, JSON,, Info
kgcnn_schnetdft_3d18.6753kgcnn334509-26-2023CSV, JSON,, Info
matminer_rfdft_3d21.2892UofT334505-22-2023CSV, JSON,, Info
kgcnn_dimenetPPdft_3d13.9889kgcnn334505-06-2023CSV, JSON,, Info
kgcnn_coNGNdft_3d13.8868kgcnn334505-06-2023CSV, JSON,, Info
kgcnn_megnetdft_3d15.7584kgcnn334505-06-2023CSV, JSON,, Info
kgcnn_cgcnndft_3d18.3923kgcnn334509-26-2023CSV, JSON,, Info
matminer_xgboostdft_3d21.5729UofT334505-22-2023CSV, JSON,, Info