Skip to content

Development Branch#193

Open
mwang87 wants to merge 114 commits into
masterfrom
dev
Open

Development Branch#193
mwang87 wants to merge 114 commits into
masterfrom
dev

Conversation

@mwang87

@mwang87 mwang87 commented Dec 14, 2022

Copy link
Copy Markdown
Owner

Currently includes

  1. migration to new versions of all packages
  2. some updated testing
  3. Metabolomics Workbench Support
  4. GNPS2 Support

@mwang87 mwang87 requested a review from bittremieux August 22, 2023 17:50
mwang87 and others added 30 commits September 15, 2025 10:34
Update MassBankEU URL & Checkout submodules for Unit Tests
docker refactor and pin versions
Refactoring without anaconda
Route GNPS/GNPS2 library accessions through library.gnps2.org:
- mzspec:GNPS:...:accession:<CCMSLIB> -> try library.gnps2.org first, fall back
  to external.gnps2.org (the existing endpoint; previously no fallback).
- mzspec:GNPS2:...:accession:<GNPS2LIB> -> new _parse_gnps2_library, resolved
  only against library.gnps2.org (no fallback); source_link -> library.gnps2.org.
Shared _fetch_gnps_library_spectrum tries a list of gnpsspectrum URLs in order,
keeping the existing parse logic. Based on dev.
feat: resolve library accessions against the GNPS2 library server
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

4 participants