JournalChemical Science2017
MoleculeNet: a benchmark for molecular machine learning
Zhenqin Wu, Bharath Ramsundar, Evan N. Feinberg, et al.
MoleculeNet provides a standardized benchmark for molecular machine learning, curating datasets and evaluating featurization and learning algorithms.
3.0kOct 31, 2017Benchmarks
arXiv