Metadata-Version: 2.1
Name: msAI
Version: 1.0.0.dev0
Summary: Tools to create AI models for mass spectrometry data
Home-page: https://github.com/IsotopeC/msAI
Author: Calvin Peters
Author-email: calvin.isotope@gmail.com
License: UNKNOWN
Keywords: AI models mass spectrometry MS data mzML spectrum ion chromatogram TIC extracted-ion EIC XIC machine learning artificial intelligence deep neural network
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering :: Artificial Intelligence
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Mathematics
Classifier: Topic :: Scientific/Engineering :: Visualization
Requires-Python: >3.6
Description-Content-Type: text/x-rst
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: tensorflow
Requires-Dist: pymzml


############
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
*************

*Section in progress*



