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Model for magmom_oszicar

  • Description: This is a benchmark to evaluate how accurately an AI model can classify a material as magnetic based on the total magnetic moment (from the OSZICAR output file of VASP) using the JARVIS-DFT (dft_3d) dataset. The dataset contains different types of chemical formula and atomic structures. Here we use accuracy of classification (ACC) to compare models with respect to DFT accuracy.


Model benchmarks

Model nameDataset ACC Team name Dataset size Date submitted Notes
alignn_modeldft_3d0.945ALIGNN5221001-14-2023CSV, JSON,, Info
matminer_rfdft_3d0.9458UofT5221005-22-2023CSV, JSON,, Info
matminer_xgboostdft_3d0.9489UofT5221005-22-2023CSV, JSON,, Info