SimplifySplittingChemicals

Simplify your train:test Splitting for Chemicals in Machine Learning

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