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Correctly report AA precision and recall during validation
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Fixes #252.
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bittremieux committed Oct 13, 2023
1 parent 86630e3 commit 16c95dd
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1 change: 1 addition & 0 deletions CHANGELOG.md
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Expand Up @@ -30,6 +30,7 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
- Casanovo runs on CPU and can passes all tests.
- Enable gradients during prediction and validation to avoid NaNs from occuring as a temporary workaround until a new Pytorch version is available.
- Upgrade to depthcharge v0.2.3 for `PeptideTransformerDecoder` hotfix.
- Correctly report amino acid precision and recall during validation.

### Removed

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2 changes: 1 addition & 1 deletion casanovo/denovo/model.py
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Expand Up @@ -773,8 +773,8 @@ def validation_step(

aa_precision, _, pep_precision = evaluate.aa_match_metrics(
*evaluate.aa_match_batch(
peptides_pred,
peptides_true,
peptides_pred,
self.decoder._peptide_mass.masses,
)
)
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