MDTS

Materials Design by Monte Carlo Tree Search

Required Packages

Python >= 2.7.x (Python 3. also can be used)

numpy >=1.12.x

COMBO (if you want to use Bayesian optimzation in combination with MDTS) https://github.com/tsudalab/combo3

Tensorflow 2 and Keras if you want to use the neural network expansion policy in combination with MDTS

Documentation

Complete documentation is here

Installation

Download or clone the github repository, e.g. git clone https://github.com/tsudalab/MDTS

CD to the MDTS folder

python setup.py install

Please refer to test.py file for usage

Contact

Sae Dieb: [email protected]

If you use this package, please cite us:

Thaer M. Dieb, Shenghong Ju, Kazuki Yoshizoe, Zhufeng Hou, Junichiro Shiomi and Koji Tsuda, MDTS: Automatic Complex Materials Design using Monte Carlo Tree Search, Science and Technology of Advanced Materials, Vol. 18, Iss. 1, 2017