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://pubs.acs.org/doi/abs/10.1021/acs.chemmater.9b02166, https://www.nature.com/articles/s41524-020-00440-1, https://doi.org/10.48550/arXiv.2305.11842
Model benchmarks
| Model name | Dataset | MAE | Team name | Dataset size | Date submitted | Notes |
|---|---|---|---|---|---|---|
| vasp_optb88vdw | dft_3d | 1.3552 | JARVIS | 54 | 01-14-2023 | CSV, JSON, run.sh, Info |
| vasp_tbmbj | dft_3d | 0.4981 | JARVIS | 54 | 01-14-2023 | CSV, JSON, run.sh, Info |