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Model for mepsx

  • Description: This is a benchmark to evaluate how accurately an AI model can predict the static dielectric constant (x-direction) at the meta-GGA TBmBJ level of theory 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 (meta-GGA TBmBJ) accuracy.


Model benchmarks

Model nameDataset MAE Team name Dataset size Date submitted Notes
kgcnn_schnetdft_3d26.0289kgcnn1680909-26-2023CSV, JSON,, Info
kgcnn_coNGNdft_3d23.3801kgcnn1680905-06-2023CSV, JSON,, Info
matminer_xgboostdft_3d25.2932UofT1680905-22-2023CSV, JSON,, Info
alignn_modeldft_3d24.0458ALIGNN1680901-14-2023CSV, JSON,, Info
kgcnn_megnetdft_3d26.6785kgcnn1680905-06-2023CSV, JSON,, Info
cfid_chemdft_3d31.5918JARVIS1680901-14-2023CSV, JSON,, Info
matminer_lgbmdft_3d28.0094Matminer1680901-14-2023CSV, JSON,, Info
matminer_rfdft_3d25.8439UofT1680905-22-2023CSV, JSON,, Info
kgcnn_coGNdft_3d24.2289kgcnn1680905-06-2023CSV, JSON,, Info
cfiddft_3d30.261JARVIS1680901-14-2023CSV, JSON,, Info
kgcnn_dimenetPPdft_3d31.9568kgcnn1680905-06-2023CSV, JSON,, Info
kgcnn_cgcnndft_3d26.929kgcnn1680909-26-2023CSV, JSON,, Info