OpenMol/USPTO_RXN_Interleaved

• 1,587,709 samples.
• In median #7 mols/sample.

Citation

If you download and use this dataset, you must provide appropriate citation of this paper in any publications or projects. Failure to do so may lead to academic or ethical concerns. Proper citation ensures acknowledgment of the dataset's creators and contributes to the integrity of research. Please refer to the citation guidelines included with the dataset for the correct format.

@misc{cao2024presto,
    title={PRESTO: Progressive Pretraining Enhances Synthetic Chemistry Outcomes},
    author={He Cao and Yanjun Shao and Zhiyuan Liu and Zijing Liu and Xiangru Tang and Yuan Yao and Yu Li},
    year={2024},
    eprint={2406.13193},
    archivePrefix={arXiv},
    primaryClass={cs.LG}
}