Dataset Groups Activity Stream MoleculeNet: A Benchmark Dataset for Molecular Machine Learning MoleculeNet is a benchmark dataset for molecular machine learning, containing 11 datasets for 2D molecular property prediction. BibTex: @dataset{Weihua_Hu_and_Bowen_Liu_and_Joseph_Gomes_and_Marinka_Zitnik_and_Percy_Liang_and_Vijay_S_Pande_and_Jure_Leskovec_2025, abstract = {MoleculeNet is a benchmark dataset for molecular machine learning, containing 11 datasets for 2D molecular property prediction.}, author = {Weihua Hu and Bowen Liu and Joseph Gomes and Marinka Zitnik and Percy Liang and Vijay S. Pande and Jure Leskovec}, doi = {10.57702/kafs8ma2}, institution = {No Organization}, keyword = {'2D molecular property prediction', 'benchmark dataset', 'molecular machine learning'}, month = {jan}, publisher = {TIB}, title = {MoleculeNet: A Benchmark Dataset for Molecular Machine Learning}, url = {https://service.tib.eu/ldmservice/dataset/moleculenet--a-benchmark-dataset-for-molecular-machine-learning}, year = {2025} }
