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Moleculenet: A Benchmark for Molecular Machine Learning

The authors used the Moleculenet dataset for their experiments.

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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

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Additional Info

Field	Value
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