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Inchikey Structural Similarity Scoring

Agent skill
1 skill

Use when you have candidate library matches from MS2Deepscore ranking (top 2000 spectra per query) with InChIKey annotations, and need to quantify structural similarity between query and candidate compounds to inform downstream match ranking and filtering by MS2Query's random forest model.

Install with
Claude CodeCodexCursorGitHub CopilotGemini CLI

Supported by the Atlas install prompt. Skill-specific requirements vary.

Skill stats

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About this skill

Use when you have candidate library matches from MS2Deepscore ranking (top 2000 spectra per query) with InChIKey annotations, and need to quantify structural similarity between query and candidate compounds to inform downstream match ranking and filtering by MS2Query's random forest model.

Quick start

  1. Copy the install prompt. Use the green button above this README.
  2. Send it to your agent. Paste it into your coding agent’s chat and send.
  3. Review the setup. Your agent checks the skill’s instructions, requirements, and installation scope.
Review, license & listing details
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0 potential findings · Scanned 11/4/2026 · Scanner 0.2.1

Content SHA-256: 6d7ddff552383f9ce3ae29b799770adf57cf86aea971bfbec3d5f64dba6a5cb2

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About this listing

Category
General
Reported license
Apache-2.0
Listing language (estimated)
English
Review status
Not individually reviewed
Agent compatibility
Atlas installation supports Claude Code, Codex, and Cursor. Skill-specific dependencies and features are checked during setup.