Model for R2

• Description: This is a benchmark to evaluate how accurately an AI model can predict the electronic spatial extent (R2) 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://www.nature.com/articles/s41524-021-00650-1, https://doi.org/10.1038/sdata.2014.22

Model benchmarks

Model name	Dataset	MAE	Team name	Dataset size	Date submitted	Notes
alignn_model	qm9_std_jctc	0.6523	ALIGNN	130829	01-14-2023	CSV, JSON, run.sh, Info