Metadata-Version: 2.1
Name: simsplitchem
Version: 0.0.0
Summary: Simplifying ML Splitting with Chemicals
Home-page: https://github.com/JacksonBurns/SimplifySplittingChemicals
Author: Jackson Burns
Author-email: jburnsky@udel.edu
License: MIT
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Description-Content-Type: text/markdown
License-File: LICENSE

<h1 align="center">SimplifySplittingChemicals</h1> 
<h3 align="center">Simplify your train:test Splitting for Chemicals in Machine Learning</h3>

<p align="center">  
  <img alt="simsplitchemlogo" src="https://github.com/JacksonBurns/SimplifySplittingChemicals/blob/main/simsplitchem_logo.png">
</p> 
<p align="center">
  <img alt="GitHub Repo Stars" src="https://img.shields.io/github/stars/JacksonBurns/SimplifySplittingChemicals?style=social">
  <img alt="PyPI - Downloads" src="https://img.shields.io/pypi/dm/simsplitchem">
  <img alt="PyPI" src="https://img.shields.io/pypi/v/simsplitchem">
  <img alt="PyPI - License" src="https://img.shields.io/github/license/jacksonburns/simplifysplittingchemicals">
</p>

## Online Documentation
[Click here to read the docuemtntation](https://jacksonburns.github.io/SimplifySplittingChemicals/)

### TODO List
- [ ] add directory strucure
- [ ] tests and methods signatures
- [ ] github actions
- [ ] literature search for splitting methods to implement

### Directory Structure
Directory structure
```
SimplifySplittingChemicals
â”‚   README.md
|
â””â”€â”€â”€simsplitchem
â”‚   â”‚   __init__.py
â”‚   â”‚   simsplitchem.py
â”‚   â”‚
â”‚   â””â”€â”€â”€samplers
â”‚       â”‚   __init__.py
|       |  abstract_sampler.py
|       |  random.py
|       |  max_min.py
|       |  kennard_stone.py
â”‚   â””â”€â”€â”€utils
â”‚       â”‚   __init__.py
â”‚       â”‚   AIMSIM_wrappers.py
â”‚   
â””â”€â”€â”€test
â””â”€â”€â”€docs
â””â”€â”€â”€examples
```


