Model for TinNet Nitrogen dataset¶
- Description: This is a benchmark to evaluate how accurately an AI model can predict the energy of adsorption of N using the TinNet dataset. The dataset contains different types of heterogeneous catalysts. Here we use mean absolute error (MAE) to compare models with respect to DFT accuracy. External links: https://www.nature.com/articles/s41467-021-25639-8
Reference(s): https://www.nature.com/articles/s41524-021-00650-1, https://doi.org/10.1038/s41467-021-25639-8
Model benchmarks
| Model name | Dataset | MAE | Team name | Dataset size | Date submitted | Notes |
|---|---|---|---|---|---|---|
| alignn_model | tinnet_N | 0.0871 | ALIGNN | 327 | 01-14-2023 | CSV, JSON, run.sh, Info |