Spectral Similarity Scoring Computation

About this skill

Use when you have a query spectrum (or set of query spectra) and need to rank candidate library spectra by their likelihood of sharing the same chemical structure.

Quick start

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Review, license & listing details

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Content SHA-256: 94e4daf6312c1561da4632eb21c202a102733b3f269b58b522f58ffc8596e607

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Original listing metadata

Original name

spectral-similarity-scoring-computation

Original description

Use when you have a query spectrum (or set of query spectra) and need to rank candidate library spectra by their likelihood of sharing the same chemical structure.

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.