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revised changelog
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Lilferrit authored and bittremieux committed Aug 28, 2024
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Expand Up @@ -15,16 +15,16 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),

- Removed the `evaluate` sub-command, and all model evaluation functionality has been moved to the `sequence` command using the new `--evaluate` flag.
- The `--output` option has been split into two options, `--output_dir` and `--output_root`.
- The `model_save_folder_path` config option has been eliminated; model checkpoints will now be saved to `--output_dir` during training.
- The `--validation_peak_path` is now optional during training; if `--validation_peak_path` is not set then the `train_peak_path` will also be used for evaluation.
- The `--validation_peak_path` is now optional when training; if `--validation_peak_path` is not set then the `train_peak_path` will also be used for validation.

### Fixed

- Precursor charges are exported as integers instead of floats in the mzTab output file, in compliance with the mzTab specification.

### Removed

- Removed the `save_top_k` option from the Casanovo config, the model with the lowest validation loss during training will now be saved to a fixed filename `<output_root>.best.ckpt`.
- Removed the `save_top_k` option from the Casanovo config, the model with the lowest validation loss during training will now be saved to a fixed filename `<output_root>.best.ckpt`.
- The `model_save_folder_path` config option has been eliminated; model checkpoints will now be saved to `--output_dir` during training.

## [4.2.1] - 2024-06-25

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