USPTO Dataset for: Fast Chemical Reaction Condition Suggestion via Rule-Based Classification and Similarity Search

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