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Comparison Vacancy formation energy with ES methods

  • Description: This is a benchmark to evaluate how accurately an ES model can predict vacancy formation energy, experimental results are used as a ground truth for comparison and the mean absolute error (MAE) with respect to the experimental value is used as an accuracy metric


Model benchmarks

Model name Dataset MAE Team name Dataset size Date submitted Notes
vasp_optb88vdwvacancydb0.3026JARVIS3901-14-2023CSV, JSON,, Info