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Model for bandgap

  • Description: This is a benchmark to evaluate how accurately an ES model can predict the bandgap for a bulk material, 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


Reference(s): https://doi.org/10.48550/arXiv.2305.11842, https://pubs.acs.org/doi/abs/10.1021/acs.chemmater.9b02166, https://www.nature.com/articles/s41524-020-00440-1

Model benchmarks

Model name Dataset MAE Team name Dataset size Date submitted Notes
vasp_tbmbjdft_3d0.4981JARVIS5401-14-2023CSV, JSON, run.sh, Info
vasp_optb88vdwdft_3d1.3552JARVIS5401-14-2023CSV, JSON, run.sh, Info