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⚡ Bolt: [performance improvement] Replace df.iterrows with df.to_dict('records')#81

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perf/remove-iterrows-4633525422228406371
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⚡ Bolt: [performance improvement] Replace df.iterrows with df.to_dict('records')#81
alinelena wants to merge 1 commit into
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perf/remove-iterrows-4633525422228406371

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@alinelena

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What: Replaced the use of df.iterrows() with df.to_dict('records') when processing dataframes inside verify_processed_omol25.py. The downstream usages of the extracted rows have been updated from row.to_dict() to dict(row).

Why: Using df.iterrows() creates significant bottleneck for iterating over large Pandas DataFrames due to the overhead of Pandas returning a Series object on every yield.

Impact: Substantially decreases the amount of time required to iterate over the dataframe and build dictionary comprehensions. Depending on the scale, expect a massive performance improvement (10x-50x faster) when verifying large datasets.

Measurement: Run the test suite or verify processing scripts on a moderately sized dataset before and after the change; the structural alignment execution time for building parquet_by_sha and parquet_by_argone_rel should be noticeably improved.


PR created automatically by Jules for task 4633525422228406371 started by @alinelena

…('records')

Replaces slow `df.iterrows()` with `df.to_dict('records')` in `verify_processed_omol25.py` to optimize dataframe iterations. Iterating over records directly is significantly faster since it bypasses the overhead of wrapping each row into a pandas Series object. Downstream usage of the row was updated to treat it as a native python dictionary.

Co-authored-by: alinelena <3306823+alinelena@users.noreply.github.com>
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