What is unlockNN?

UnlockNN is a Python package for adding uncertainty quantification to Keras models for materials property prediction.

This documentation was built on Jul 05, 2022.

Installation

Using pip:

$ pip install unlockNN

From source

First, clone the repository:

$ git clone https://github.com/a-ws-m/unlockNN.git
$ cd unlockNN

Then, either install dependencies using conda:

$ conda env create -f environment.yml
$ pip install .

Or simply install using pip exclusively:

$ pip install .