Computes mass-spectral similarity and identifies compounds for metabolomics with matchms — comparing mass spectra, scoring similarity (cosine, modified cosine), and searching spectral libraries to annotate unknowns. Use when matching MS/MS spectra, identifying metabolites, or library searching; for full LC-MS/MS proteomics pipelines use alterlab-pyopenms.
安装
npx skills add AlterLab-IEU/AlterLab-Academic-Skills --skill alterlab-matchmsnpx skills add AlterLab-IEU/AlterLab-Academic-Skills --skill alterlab-matchms -a claude-code -gnpx skills add AlterLab-IEU/AlterLab-Academic-Skills --skill alterlab-matchms -a codex -ggemini skills install https://github.com/AlterLab-IEU/AlterLab-Academic-Skills.git --path skills/cheminformatics/alterlab-matchmsgh skill install AlterLab-IEU/AlterLab-Academic-Skills alterlab-matchmsgit clone --depth 1 https://github.com/AlterLab-IEU/AlterLab-Academic-Skills /tmp/AlterLab-IEU__AlterLab-Academic-Skills
mkdir -p ~/.claude/skills ~/.agents/skills
cp -R /tmp/AlterLab-IEU__AlterLab-Academic-Skills/skills/cheminformatics/alterlab-matchms ~/.claude/skills/alterlab-matchms # Claude Code
cp -R /tmp/AlterLab-IEU__AlterLab-Academic-Skills/skills/cheminformatics/alterlab-matchms ~/.agents/skills/alterlab-matchms # Codex, Cursor, Gemini CLI, Copilot, OpenCode