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