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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.


Model benchmarks

Model nameDataset Accuracy Team name Dataset size Date submitted Notes
alignn_modeledos_pdos0.05772635693310998ALIGNN1424301-14-2023CSV, JSON,, Info