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chemical-structure-comparison
Chemical Structure Comparison - Compare chemical structures: get SMILES, analyze structures, compute similarity, and check PubChem records. Use this skill for cheminformatics tasks involving NameToSMILES ChemicalStructureAnalyzer calculate smiles similarity get compound by name. Combines 4 tools from 4 SCP server(s).
maintainer
InternScience
更新於 3/3/2026
星標
129
分支
7
quick start
Installation and usage
Chemical Structure Comparison - Compare chemical structures: get SMILES, analyze structures, compute similarity, and check PubChem records. Use this skill for cheminformatics tasks involving NameToSMILES ChemicalStructureAnalyzer calculate smiles similarity get compound by name. Combines 4 tools from 4 SCP server(s).
安裝
$ install --globalskills.sh
使用
安裝後,您可以通過在終端運行以下命令來使用此技能:
skills use chemical-structure-comparison