Spectral similarity and compound identification for metabolomics. Use for comparing mass spectra, computing similarity scores (cosine, modified cosine), and identifying unknown compounds from spectral libraries. Best for metabolite identification, spectral matching, library searching. For full LC-MS/MS proteomics pipelines use pyopenms.
安装
npx skills add K-Dense-AI/scientific-agent-skills --skill matchmsnpx skills add K-Dense-AI/scientific-agent-skills --skill matchms -a claude-code -gnpx skills add K-Dense-AI/scientific-agent-skills --skill matchms -a codex -ggemini skills install https://github.com/K-Dense-AI/scientific-agent-skills.git --path scientific-skills/matchmsgh skill install K-Dense-AI/scientific-agent-skills matchmsgit clone --depth 1 https://github.com/K-Dense-AI/scientific-agent-skills /tmp/K-Dense-AI__scientific-agent-skills
mkdir -p ~/.claude/skills ~/.agents/skills
cp -R /tmp/K-Dense-AI__scientific-agent-skills/scientific-skills/matchms ~/.claude/skills/matchms # Claude Code
cp -R /tmp/K-Dense-AI__scientific-agent-skills/scientific-skills/matchms ~/.agents/skills/matchms # Codex, Cursor, Gemini CLI, Copilot, OpenCode