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Add InstaNovo support to DeNovoGUI#53

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Add InstaNovo support to DeNovoGUI#53
BioGeek wants to merge 2 commits into
CompOmics:masterfrom
BioGeek:instanovo

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@BioGeek BioGeek commented Jun 23, 2026

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Add InstaNovo support to DeNovoGUI

InstaNovo is a de novo peptide sequencing tool.

This PR adds DeNovoGUI support for InstaNovo v1.2.2 in three modes:

  • InstaNovo: de novo peptide sequencing with the transformer-based InstaNovo model.
  • InstaNovo+: de novo peptide sequencing with the diffusion-based InstaNovo+ model.
  • InstaNovo with refinement: InstaNovo predictions refined with InstaNovo+.

Changes

  • Adds GUI and CLI selection for:
    • InstaNovo
    • InstaNovo+
    • InstaNovo with refinement
  • Adds an InstaNovo execution job matching the SearchGUI command behavior.
  • Adds support for selecting a local InstaNovo checkout/installation folder.
  • Adds result discovery/import/export support for the three InstaNovo CSV result types.
  • Updates DeNovoGUI to the newer Utilities line needed for InstaNovo advocates and readers.
  • Removes the old Log4j 1.x path by moving local logging usage to Log4j 2 APIs. Closes Apache log4j-1.2.12 no longer supported #51

Notes

DeNovoGUI appears less actively maintained than SearchGUI, and @hbarsnes has mentioned SearchGUI is the newer route for these workflows. This PR is therefore best treated as legacy/parallel support after the SearchGUI and PeptideShaker integration has landed.

Screenshots

Screenshot From 2026-06-23 03-23-18 Screenshot From 2026-06-23 03-26-47

Tests

Ran:

mvn -DskipTests -Dmaven.javadoc.skip=true package
mvn -Dtest=com.compomics.denovogui.execution.jobs.InstaNovoJobTest test

Covered by the focused test:

  • InstaNovo executable resolution for Unix and Windows virtual environments.
  • Result-file naming for InstaNovo, InstaNovo+, and refinement.
  • Refined workflow command construction.

Merge Order

Recommended order:

  1. Add InstaNovo and InstaNovo+ import support compomics-utilities#73
  2. Add SearchGUI support for InstaNovo and InstaNovo+ searchgui#387
  3. Add PeptideShaker import UI support for InstaNovo result files peptide-shaker#570
  4. Add DeNovoGUI compatibility APIs to Utilities compomics-utilities#74
  5. This PR
  6. Update SearchGUI recipe to 4.3.17 bioconda/bioconda-recipes#66604
  7. Update PeptideShaker recipe to 3.0.13 bioconda/bioconda-recipes#66603
  8. Expose InstaNovo workflows in online input form barsnes-group/peptide-shaker-online#30
  9. Bump PeptideShaker wrappers for InstaNovo support galaxyproteomics/tools-galaxyp#828

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Apache log4j-1.2.12 no longer supported

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