Introduction

msAI - Software Tools to Create AI Models for Mass Spectrometry Data

Note: msAI is in development. Currently, all releases are development previews. Features are incomplete and may change.

Overview

msAI provides a library of python modules for...

• Extracting data from mass spectrometry data files

  • Supported MS file types: mzML, TBD…

• Importing sample metadata

  • Unify MS data and sample metadata in a single view

• Partitioning data for training, testing, and validation

• Quality analysis of MS runs / samples

  • Metadata verification
  • Anomaly detection

• Plotting / visualization

• AI / machine learning frameworks

  • TensorFlow
  • TBD…

• Creating AI models

  • Neural network architectures - neuron layers, connections, activation functions
  • Model training - loss and optimization functions, hyperparameter tuning
  • Evaluation of models - measure accuracy, prevent overfitting

• Model lifecycle management

  • Deploy, update, backup, restore

Installation

Install from the Python Package Index (PyPI):

pip install msAI

Documentation

https://msai.readthedocs.io

Source Code

https://github.com/IsotopeC/msAI