Deep learning spectrum prediction#529

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henninggaertner wants to merge 30 commits intodevfrom

deep-learning-spectrum-prediction

Commits on Jun 17, 2024

Commits on Jun 21, 2024

Add FileOutput feature to disk operator
henninggaertner
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Add charge to peptide_import, progress on charge and output formats in spectrum_prediction.py
henninggaertner
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Commits on Jun 24, 2024

New TMT model
henninggaertner
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Commits on Jun 27, 2024

Add spectrum plot, improve csv export of predictions
henninggaertner
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Commits on Jul 1, 2024

Add preliminary test for spectrum prediction, add filter of PTM-containing peptides
henninggaertner
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Commits on Jul 5, 2024

Commits on Jul 8, 2024

Commits on Jul 10, 2024

Commits on Jul 11, 2024

Commits on Jul 12, 2024

Update disk operator for FileOutput, improve tests, add mgf format, improve dataframe output of spectrum prediction, minor visual changes of spectrum prediction related steps
henninggaertner
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Commits on Jul 16, 2024

Cleanup, more strenums, generalize plot to all possible 2-pair fragment types
henninggaertner
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Commits on Jul 25, 2024

Add spectrum comparison, mirror plot
henninggaertner
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Commits on Nov 14, 2024

Commits on Mar 4, 2025

Remove deprecated functions and code leftover from bachelor thesis
henninggaertner
committed