Model for PhononDos¶
- Description: This is a benchmark to evaluate how accurately an AI model can predict the total phonon density of states (spectra) using the JARVIS-DFT (dft_3d) dataset. The dataset contains different types of chemical formula and atomic structures. Here we use multi-mean absolute error (multi-MAE) to compare models with respect to DFT accuracy.
Reference(s): https://www.nature.com/articles/s41524-021-00650-1, https://doi.org/10.1103/PhysRevMaterials.7.023803
Model benchmarks
Model name | Dataset | Accuracy | Team name | Dataset size | Date submitted | Notes |
---|---|---|---|---|---|---|
alignn_model | edos_pdos | 0.05772635693310998 | ALIGNN | 14243 | 01-14-2023 | CSV, JSON, run.sh, Info |