Metadata-Version: 2.1
Name: msAI
Version: 0.1.1.dev1
Summary: Tools for creating 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 lifecycle management training testing validationquality analysis QA mass spectrum MS total ion chromatogram TIC extracted-ion chromatogramEIC 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: >3.4
Description-Content-Type: text/markdown
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: matplotlib
Requires-Dist: tensorflow
Requires-Dist: bokeh
Requires-Dist: pymzml

# 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


