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Correctly report AA precision and recall during validation #253

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Oct 24, 2023
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1 change: 1 addition & 0 deletions CHANGELOG.md
Original file line number Diff line number Diff line change
Expand Up @@ -37,6 +37,7 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
- Specifying custom residues to retrain Casanovo is now possible.
- Upgrade to depthcharge v0.2.3 to fix sinusoidal encoding and for the `PeptideTransformerDecoder` hotfix.
- Enable gradients during prediction and validation to avoid NaNs from occuring as a temporary workaround until a new Pytorch version is available.
- Correctly report amino acid precision and recall during validation.

## [3.3.0] - 2023-04-04

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2 changes: 1 addition & 1 deletion casanovo/denovo/model.py
Original file line number Diff line number Diff line change
Expand Up @@ -766,8 +766,8 @@ 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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