USPTO Dataset for: Fast Chemical Reaction Condition Suggestion via Rule-Based Classification and Similarity Search
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下载链接：
https://zenodo.org/record/10171744
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资源简介：
USPTO database that is analyzed with Rxn-INSIGHT (https://github.com/mrodobbe/Rxn-INSIGHT).
This gzip file contains a very large Pandas DataFrame that can be loaded via pd.read_parquet('uspto_rxn_insight.gzip'). Because of the large size of the data, PyArrow version 13.0 must be used.
To use parquet in Pandas, install PyArrow and fastparquet using pip:
pip install pyarrow==13.0pip install fastparquet
创建时间：
2023-11-30
