Metadata-Version: 2.1
Name: msAI
Version: 1.2.0.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


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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.


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Overview
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*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


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Installation
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Install from the Python Package Index (PyPI)::

    pip install msAI


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Documentation
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https://msai.readthedocs.io



