graphs-datasets/

AQSOL

	Dataset Card for AQSOL




	
	Dataset Summary

The AQSOL dataset comes "from the Benchmarking Graph Neural Networks paper based on AqSolDB, a standardized database of 9,982 molecular graphs with their aqueous solubility values, collected from 9 different data sources" (PyGeometric doc).

AQSOL should be used for graph regression, on aqueous solubility.

	External Use




	
	PyGeometric

To load in PyGeometric, do the… See the full description on the dataset page: https://huggingface.co/datasets/graphs-datasets/AQSOL.