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matchms

Processes, cleans, compares, and searches 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.

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SKILL.md
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K-Dense-AI/scientific-agent-skills

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skills/matchms/SKILL.md

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