home/categories/computational-chemistry/spectrai-initiative-innoclaw-claude-skills-molecular-similarity-search-skill-md
computational-chemistryresearch
molecular-similarity-search
Search for similar molecules using Tanimoto similarity with Morgan fingerprints to identify structurally related compounds.
maintainer
SpectrAI-Initiative
Updated 4/2/2026
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quick start
Installation and usage
Search for similar molecules using Tanimoto similarity with Morgan fingerprints to identify structurally related compounds.
Installation
$ install --globalskills.sh
Usage
Once installed, you can use this skill by running the following command in your terminal:
skills use molecular-similarity-search