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Chemical Structure Smiles Assignment

Agent skill
1 skill

Use when you have a mass spectral library (EI or MS2 format) loaded into R via readlib() and possess either MOL files (from Lib2NIST export) or an SDF file containing the corresponding chemical structures, but the library entries lack SMILES fields or have incomplete structure information.

Install with
Claude CodeCodexCursorGitHub CopilotGemini CLI

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

Skill stats

Skills1CategoryGeneralStars0

About this skill

Use when you have a mass spectral library (EI or MS2 format) loaded into R via readlib() and possess either MOL files (from Lib2NIST export) or an SDF file containing the corresponding chemical structures, but the library entries lack SMILES fields or have incomplete structure information.

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: 6376cb22ce0af645fa2fa08db61e412aef14f3fcf02c42b70c2743c9a51521bf

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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.