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Model for Vacancy formation energy

  • Description: This is a benchmark to evaluate how accurately an AI model can predict vacancy formation energy. Here we use mean absolute error (MAE) to compare models with respect to DFT accuracy.


Model benchmarks

Model name Dataset MAE Team name Dataset size Date submitted Notes
alignnff_pretrained_wt0.1vacancydb0.8739JARVIS53001-14-2023CSV, JSON,, Info