Materials Design by Monte Carlo Tree Search
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
Complete documentation is here
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
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