graphs-datasets/

PROTEINS

	Dataset Card for PROTEINS




	
	Dataset Summary

The PROTEINS dataset is a medium molecular property prediction dataset.

PROTEINS should be used for molecular property prediction (aiming to predict whether molecules are enzymes or not), a binary classification task. The score used is accuracy, using a 10-fold cross-validation.

	External Use




	
	PyGeometric

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