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Model for Vacancy formation energy for 2D

  • Description: This is a benchmark to evaluate how accurately an AI model can predict vacancy formation energy for a subset of 2D materials. 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_wt0.1vacancydb_2D1.0018JARVIS7201-14-2023CSV, JSON,, Info