slepa 1.0.0a2

an interpretable materials design tool based on self-learning entropic population annealing

Self-Learning Entropic Population Annealing

Description

This is a Python package that is designed for interpretable materials design in combinatorial search spaces based on entropic population annealing.

Required Packages

• Python >= 3.6
• numpy
• scipy
• physbo
• modlamp

Install

• From PyPI (recommended)

pip3 install slepa

• To update modlamp to the latest version, run the following:

pip install --upgrade slepa

• From source (for developers)

  1. Update pip (>= 19.0)

     pip3 install -U pip
     

  2. Download or clone the github repository

     git clone https://github.com/tsudalab/SLEPA
     

  3. Install via pip

     pip3 install ./SLEPA
     

Uninstall

pip3 uninstall slepa

Usage

'examples/simple.py' is a simple example.

License

SLEPA package is distributed under GNU General Public License version 3 (GPL v3) or later.

Copyright

© 2021- The University of Tokyo. All rights reserved.