Figure shows the normalized distribution of different atom types across the LF-QC, HF-Exp, EXT-Zamora, and EXT-SAMPL9 datasets. This distribution is defined as the frequency of each atom type appearing in the datasets, adjusted so that the total frequency adds up to one. The LF-QC dataset (red) exhibits a broad distribution with significant representation across various atom types, highlighting its diverse chemical composition. The HF-Exp dataset (green) shows a more constrained distribution, indicating a focus on a narrower range of chemical species. The EXT-Zamora (cyan) and EXT-SAMPL9 (purple) datasets display even more distinct distributions, with the EXT-SAMPL9 dataset showing significant representation of specific atom types. This comparison highlights the diverse chemical compositions and focuses of the datasets, with LF-QC covering a wide array of atom types, while the experimental datasets (HF-Exp, EXT-Zamora, EXT-SAMPL9) are more specialized.