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Migration to depthcharge v0.4.8 #350

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Migration to depthcharge v0.4.8 #350

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+1,562 −1,174

Commits on Nov 19, 2024

  1. migration to depthcharge v0.4.8

    @Lilferrit
    Daniela Klaproth-Andrade authored and Lilferrit committed Nov 19, 2024
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  2. shuffling training set by default

    @Lilferrit
    Daniela Klaproth-Andrade authored and Lilferrit committed Nov 19, 2024
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  3. Reformat with Black

    @wfondrie @Lilferrit
    wfondrie authored and Lilferrit committed Nov 19, 2024
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  4. Fix formatting again after merge

    @wfondrie @Lilferrit
    wfondrie authored and Lilferrit committed Nov 19, 2024
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  5. Resolve requested changes

    @Lilferrit
    Daniela Klaproth-Andrade authored and Lilferrit committed Nov 19, 2024
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  6. Reformat with Black

    @wfondrie @Lilferrit
    wfondrie authored and Lilferrit committed Nov 19, 2024
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  7. removed invalid imports

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  8. removed to be added functionality (for now)

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  9. tensorboard logger

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  10. circular import bug

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  11. removed tensorboard unit tests

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  12. beam search decode unit tests (IP)

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  13. teast_beam_search decode test update

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  14. test_eval_metrics test update

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  15. unit tests updates

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  16. spectrum id unit tests

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  17. integration test fix

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  18. model prediction io flow fixes

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  19. PyLightning logging refactor

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  20. mgf file reader title field formatting

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  21. integration tests fix

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  22. integration tests

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  23. test_initialize_model fix

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  24. test_save_and_load_weights fix

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  25. test_save_and_load_weights_deprecated fix

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  26. test_evaluate fix, evaluate unnanotated peak file error handling

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  27. test_evaluate fix, evaluate unnanotated peak file error handling

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  28. test_eval_metrics fix

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  29. test_spectrum_id tests fix

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  30. unit tests fixes

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  31. teast_beam_search_decode fix

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  32. negative residue work around

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  33. depthcharge upgrade - all unit tests pass

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  34. pylance depthcharge compatability fix

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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  35. removed scans field from dataloaders

    @Lilferrit
    Lilferrit committed Nov 19, 2024
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Commits on Nov 21, 2024

  1. non db functionality working

    @Lilferrit
    Lilferrit committed Nov 21, 2024
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Commits on Nov 26, 2024

  1. import orders, CasanovoDB psm batching

    @Lilferrit
    Lilferrit committed Nov 26, 2024
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  2. CasanovoDB unit tests

    @Lilferrit
    Lilferrit committed Nov 26, 2024
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  3. no batch made edge case

    @Lilferrit
    Lilferrit committed Nov 26, 2024
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  4. mass caclulation

    @Lilferrit
    Lilferrit committed Nov 26, 2024
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Commits on Nov 27, 2024

  1. CasanovoDB mass mod fixes

    @Lilferrit
    Lilferrit committed Nov 27, 2024
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  2. remove unsqueeze batch method

    @Lilferrit
    Lilferrit committed Nov 27, 2024
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Commits on Nov 28, 2024

  1. reduced test epochs from 20 to 15

    @Lilferrit
    Lilferrit committed Nov 28, 2024
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