Moleculenet: A Benchmark for Molecular Machine Learning

The authors used the Moleculenet dataset for their experiments.

Data and Resources

Cite this as

Zhenqin Wu, Bharath Ramsundar, Evan N Feinberg, Joseph Gomes, Caleb Geniesse, Aneesh S Pappu, Karl Leswing, Vijay Pande (2024). Dataset: Moleculenet: A Benchmark for Molecular Machine Learning. https://doi.org/10.57702/f5216gbb

DOI retrieved: December 16, 2024

Additional Info

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Created December 16, 2024
Last update December 16, 2024
Defined In https://doi.org/10.48550/arXiv.2211.15335
Author Zhenqin Wu
More Authors
Bharath Ramsundar
Evan N Feinberg
Joseph Gomes
Caleb Geniesse
Aneesh S Pappu
Karl Leswing
Vijay Pande
Homepage https://doi.org/10.1038/s41586-018-0156-3