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Simplifying ML Splitting with Chemicals

Project description

SimplifySplittingChemicals

Simplify your train:test Splitting for Chemicals in Machine Learning

simsplitchemlogo

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Online Documentation

Click here to read the docuemtntation

TODO List

  • add directory strucure
  • tests and methods signatures
  • github actions
  • literature search for splitting methods to implement

Directory Structure

Directory structure

SimplifySplittingChemicals
│   README.md
|
└───simsplitchem
│   │   __init__.py
│   │   simsplitchem.py
│   │
│   └───samplers
│       │   __init__.py
|       |  abstract_sampler.py
|       |  random.py
|       |  max_min.py
|       |  kennard_stone.py
│   └───utils
│       │   __init__.py
│       │   AIMSIM_wrappers.py
│   
└───test
└───docs
└───examples

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