matchms
Process, clean, compare, and search tandem mass spectra with matchms. Use for MS/MS file I/O, metadata harmonization, peak filtering, spectral similarity, library matching, score matrices, and molecular-similarity networks. Use pyopenms instead for LC-MS feature detection or proteomics pipelines.
- Version
- 2.1
- License
- Apache-2.0
- Compatibility
- Requires Python >=3.10,<3.15, uv, and matchms 0.33.1. Local file workflows need no credentials; metabolomics-USI loading requires network access.
Pinned to revision df088027ff23, so it is the text this page describes rather than whatever the author pushed since.
Pre-approved tools experimental
Experimental field. Support varies between clients, so this list is what the author declared, not what your client will enforce.
- Read
- Write
- Edit
- Bash
Files
- skills/matchms/SKILL.md
- skills/matchms/references/filtering.md
- skills/matchms/references/importing_exporting.md
- skills/matchms/references/migration.md
- skills/matchms/references/similarity.md
- skills/matchms/references/sources.md
- skills/matchms/references/workflows.md
- skills/matchms/scripts/library_search.py
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