Ms Spectra Inference with Neural Networks

About this skill

Use when you have MGF or native MS/MS arrays (mzarray, intensityarray, precursormz, adduct) and want to predict the most likely molecular formula. The input spectra must include required MGF fields (TITLE, PRECURSORMZ, PRECURSORTYPE, COLLISIONENERGY) or equivalent Python API parameters.

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Original listing metadata

Original name

ms-spectra-inference-with-neural-networks

Original description

Use when you have MGF or native MS/MS arrays (mz_array, intensity_array, precursor_mz, adduct) and want to predict the most likely molecular formula. The input spectra must include required MGF fields (TITLE, PRECURSOR_MZ, PRECURSOR_TYPE, COLLISION_ENERGY) or equivalent Python API parameters.

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.