Comparison Vacancy formation energy with ES methods¶
- Description: This is a benchmark to evaluate how accurately an ES model can predict vacancy formation energy, 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://www.nature.com/articles/s41524-020-00440-1, https://doi.org/10.48550/arXiv.2205.08366
Model benchmarks
| Model name | Dataset | MAE | Team name | Dataset size | Date submitted | Notes |
|---|---|---|---|---|---|---|
| vasp_optb88vdw | vacancydb | 0.3026 | JARVIS | 39 | 01-14-2023 | CSV, JSON, run.sh, Info |