materialsML

A Machine Learning package for materials informatics. A crafty data analysis complement to the materials database from The Materials Project

Getting Started

Local Installation and Usage

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:

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)

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.

MIT license Copyright 2023 © Andrew Garcia.