instadeepai / instadeepai/winnow

Refactor: Simplify storage format for predictions and target sequences

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refactor
Dominant language
Python
Stars
11
Forks
2
Avg merge
1d 8h
Merged PRs (30d)
1

Description

### Summary:

The current storage format for prediction and target sequences in `preds_and_fdr_metrics` is a stringified Python list (e.g., `'[C, P, Q, ...]'`).

This approach introduces friction for downstream analysis because loading the CSV output requires mandatory post-processing (e.g., using `ast.literal_eval`) to parse the string back into a usable list of residue tokens.

## Proposed Solution
Change the default storage format to a single, concatenated string (e.g., `'CPQ...'`). The data can then be read and used immediately as a standard sequence string, eliminating the need for any parsing overhead when loading the CSV.

## Optional Extension
Consider adding a column that formats predictions to be compatible with InstaNovo's `_split_peptide` function to re-obtain tokenised residues.

### Description & Purpose:

_No response_

### Additional Notes:

_No response_

Contributor guide

Open the contributing guide

Research direction

Locate the code that produces the `preds_and_fdr_metrics` CSV output and inspect how prediction and target sequences are currently serialized. Confirm the existing output and any related tests, then verify that the default output is a directly usable concatenated sequence string and that downstream loading no longer needs list parsing.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
data
Issue type
Refactor
Difficulty
3/5
Estimated time
1-2 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
45/100

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