Metadata-Version: 2.1
Name: materialsml
Version: 0.2.0
Summary: A Machine Learning package for materials informatics
Author: andrewrgarcia
Author-email: garcia.gtr@gmail.com
Requires-Python: ==3.8.3
Classifier: Programming Language :: Python :: 3
Requires-Dist: boto3 (>=1.26.50,<2.0.0)
Requires-Dist: chardet (>=5.1.0,<6.0.0)
Requires-Dist: mp-api (>=0.30.5,<0.31.0)
Requires-Dist: mpcontribs-client (>=5.0.7,<6.0.0)
Requires-Dist: pytest (>=7.2.0,<8.0.0)
Requires-Dist: stellargraph (==1.2.1)
Description-Content-Type: text/markdown

# materialsML

A Machine Learning package for materials informatics. A crafty data analysis complement to the materials database from [The Materials Project](https://materialsproject.org)


<center><img src="https://raw.githubusercontent.com/andrewrgarcia/materialsML/main/materialsML.svg" width="400"></center>

## Installation and Local Usage 

```ruby
pip install materialsml
```
It is recommended to run this package using a `virtualenv` virtual environment. To do so, follow the below simple protocol to create the virtual environment, run it, and install the package there:

```ruby 
virtualenv venv
source venv/bin/activate
pip install materialsml
python [your-script.py]
```
To exit the virtual environment, simply type `deactivate`. To access it at any other time, type `source venv/bin/activate` on the directory containing the `venv` folder. 


## viewer (in development)

![](./examples/images/materialsML_view0124.png)



## Disclaimer: Use At Your Own Risk

This program is free software. It comes without any warranty, to the extent permitted by applicable law. You can redistribute it and/or modify it under the terms of the MIT LICENSE, as published by Andrew Garcia. See LICENSE below for more details.

[![License](http://img.shields.io/:license-mit-blue.svg?style=flat-square)](http://badges.mit-license.org)

**[MIT license](./LICENSE)** Copyright 2023 © <a href="https://github.com/andrewrgarcia" target="_blank">Andrew Garcia</a>.


