MoleculeNet dataset

The MoleculeNet dataset is a benchmarking platform for molecular machine learning.

Data and Resources

Cite this as

Z. Wu, B. Ramsundar, E. N. Feinberg, J. Gomes, C. Geniesse, A. S. Pappu, K. Leswing, V. Pande (2024). Dataset: MoleculeNet dataset. https://doi.org/10.57702/wi8voz93

DOI retrieved: December 2, 2024

Additional Info

Field Value
Created December 2, 2024
Last update December 2, 2024
Defined In https://doi.org/10.48550/arXiv.2407.15880
Author Z. Wu
More Authors
B. Ramsundar
E. N. Feinberg
J. Gomes
C. Geniesse
A. S. Pappu
K. Leswing
V. Pande
Homepage https://doi.org/10.1038/s41598-018-2785-1