Model for ZPVE

• Description: This is a benchmark to evaluate how accurately an AI model can predict the zero-point vibrational energy (ZPVE) using the QM9 dataset. The dataset contains the structures and properties of molecules. Here we use mean absolute error (MAE) to compare models with respect to DFT accuracy. External links: https://www.nature.com/articles/sdata201422
  

Reference(s): https://doi.org/10.1038/sdata.2014.22, https://www.nature.com/articles/s41524-021-00650-1

Model benchmarks

Model name	Dataset	MAE	Team name	Dataset size	Date submitted	Notes
alignn_model	qm9_std_jctc	0.0019	ALIGNN	130829	01-14-2023	CSV, JSON, run.sh, Info