bio-substructure-search
About
This skill enables substructure searching in molecular libraries using RDKit with SMARTS patterns. It identifies compounds containing specific pharmacophore features, functional groups, or scaffolds while providing atom mapping. Developers should use it for filtering compound collections by structural features or finding specific chemical moieties.
Quick Install
Claude Code
Recommendednpx skills add GPTomics/bioSkills -a claude-code/plugin add https://github.com/GPTomics/bioSkillsgit clone https://github.com/GPTomics/bioSkills.git ~/.claude/skills/bio-substructure-searchCopy and paste this command in Claude Code to install this skill
GitHub Repository
Frequently asked questions
What is the bio-substructure-search skill?
bio-substructure-search is a Claude Skill by GPTomics. Skills package instructions and resources that Claude loads on demand, so Claude can perform bio-substructure-search-related tasks without extra prompting.
How do I install bio-substructure-search?
Use the install commands on this page: add bio-substructure-search to Claude Code as a plugin, or clone its repository into your skills directory, then restart Claude so it picks up the skill.
What category does bio-substructure-search belong to?
bio-substructure-search is in the Design category, tagged ai.
Is bio-substructure-search free to use?
Yes. bio-substructure-search is listed on AIMCP and free to install. It runs inside Claude, so no separate service account is required to use the skill itself.
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