Skip to content

Model for epsx_JVASP_57_MoSe2ΒΆ

  • Description: This is a benchmark to evaluate how accurately an ES model can predict the static dielectric constant (x direction) for MoSe2 (JVASP-57), 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
vasp_optb88vdw_linoptvasp_optb88vdw_dfpt00.10.20.30.40.50.6
ES-SinglePropertyPrediction-epsx_JVASP_57_MoSe2-dft_3d-test-maeMAE (epsx_JVASP_57_MoSe2)


Reference(s): https://www.nature.com/articles/s41524-020-00440-1, https://doi.org/10.48550/arXiv.2305.11842, https://www.nature.com/articles/sdata201882, https://www.nature.com/articles/s41524-020-0337-2

Model benchmarks

Model name Dataset MAE Team name Dataset size Date submitted Notes
vasp_optb88vdw_linoptdft_3d0.5049JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-57
vasp_optb88vdw_dfptdft_3d0.6184JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-57