msAI 0.1.1.dev1

Tools for creating AI models for mass spectrometry data

msAI

Tools for creating AI models for mass spectrometry data

This package is in development. Releases are currently development previews and features are incomplete.

Features

• Extraction of data from mass spectrometry (MS) data files
  • Supported MS file types: mzML, TBD...
• Unification of MS data files and sample metadata in a single data set
• Quality analysis of MS runs / samples
• Plotting: mass spectrum, total ion chromatogram, extracted-ion chromatogram, TBD...
• Partitioning of data for training, testing, and validation
• Creation of AI models
  • Supported AI / machine learning frameworks: TensorFlow, TBD...
• Model training
• Evaluation of models
• Model lifecycle management
  • Deploy, update, backup, restore