Molecular Candidate Ranking | Agent Skills Atlas

About this skill

Use when after a trained CNN model has generated molecular embeddings for query spectra, and you need to retrieve the most likely candidate molecules from a reference database.

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Original listing metadata

Original name

molecular-candidate-ranking

Original description

Use when after a trained CNN model has generated molecular embeddings for query spectra, and you need to retrieve the most likely candidate molecules from a reference database.

About this listing

Category: Science & research
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.