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Add: Full parquet support for scoring and inference#137

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singjc merged 20 commits intoPyProphet:masterfrom
singjc:master
Apr 28, 2025
Merged

Add: Full parquet support for scoring and inference#137
singjc merged 20 commits intoPyProphet:masterfrom
singjc:master

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@singjc singjc commented Apr 28, 2025

This pull request introduces updates for handling of Parquet files. Added a method to convert OSW files to parquet files, and updated scoring, ipf inference and level context inference modules to take parquet as inputs.

Parquet File Handling:

  • Added is_parquet_file and get_parquet_column_names utility functions in pyprophet/data_handling.py to validate Parquet files and retrieve column names without reading the entire file.
  • Imported polars in multiple files (pyprophet/export_parquet.py, pyprophet/ipf.py) to leverage its high-performance DataFrame capabilities. [1] [2]

Export and Conversion Enhancements:

  • Enhanced the export_to_parquet method in pyprophet/export_parquet.py to handle missing DuckDB extensions by attempting installation and loading with error handling.
  • Introduced a new convert_osw_to_parquet method in pyprophet/export_parquet.py to convert OSW SQLite files to Parquet format. This method supports advanced compression options and ensures compatibility with PyProphet scoring.

singjc added 20 commits April 27, 2025 21:08
The commit updates the PyProphet CLI options for input and output files. It adds information about valid file formats and clarifies that the output file must be in the same format as the input file.
This commit updates the `numpy` dependency to version 1.26.4 (currently pyopenms needs <= 1.26.4) and adds a new dependency `polars` with version 1.28.1 to the `pyproject.toml` file.
…OSW files that have missing Gene tables and IM related columns
@singjc singjc merged commit 2a0f74f into PyProphet:master Apr 28, 2025
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