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Model for epsx_JVASP_72_WS2ΒΆ

  • Description: This is a benchmark to evaluate how accurately an ES model can predict the static dielectric constant (x direction) for WS2 (JVASP-72), 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_dfptvasp_optb88vdw_linopt00.511.522.53
ES-SinglePropertyPrediction-epsx_JVASP_72_WS2-dft_3d-test-maeMAE (epsx_JVASP_72_WS2)


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_3d3.0933JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-72
vasp_optb88vdw_dfptdft_3d2.4098JARVIS101-14-2023CSV, JSON, run.sh, Info, JVASP-72