matchms

SAFE max severity SAFESkillSpector Caution 48 registry K-Dense-AI last scanned 1 scan

No security findings. Scanned 1 time, most recently 2026-10-21.

Second scanner: NVIDIA SkillSpector

Independent static run, no language model, over the same files as the Cisco scan above. How the two scanners compare across the whole corpus: Two scanners, one corpus.

What this skill does

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.

Package
8 files, 101 KB
SKILL.md
1404 words, 12+ sections
Code
Python (1)
Allowed tools
Read Write Edit Bash
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.

SKILL.md covers: Matchms · Purpose and Scope · Install the Verified Release · Operating Workflow · Current API Guardrails · Quick Start: Clean and Search a Library · Pair Scoring · Choose a Similarity Method · Large Comparisons · Bundled Library-Search CLI · Spectrum Objects and Visualization · References

Findings

No findings. SAFE

What is in the package

FileKindSize
SKILL.mddoc13 KB
references/filtering.mddoc12 KB
references/importing_exporting.mddoc11 KB
references/migration.mddoc8.4 KB
references/similarity.mddoc14 KB
references/sources.mddoc9.6 KB
references/workflows.mddoc14 KB
scripts/library_search.pyscript21 KB

External hosts referenced

github.com matchms.readthedocs.io matchms.github.io metabolomics-usi.gnps2.org arxiv.org pmc.ncbi.nlm.nih.gov ccms-ucsd.github.io docs.pubchempy.org doi.org export.arxiv.org joss.theoj.org pubmed.ncbi.nlm.nih.gov pypi.org www.pnas.org

Hostnames that appear in the skill's files. Referencing a host is not a finding; compare against the findings above and the skill's stated purpose.

Package contents recorded 2026-10-22 at commit 593377bb0487. The scan above ran against the version current at scan time; the two can differ if the skill has since been updated.

What we checked

What we did not check

Sources