material descriptor library
Project description
What is XenonPy project
XenonPy is a Python library focus on the material informatics which be designed for material explore based on machine learning.
The main purpose of this project is to build a complex system to calculate various chem/phys descriptors for machine learning then extend them to explore material space. To reach this target, system also provide model training routines and try to re-use pre-trained model by various deep learning methods such as transfer learning.
This project has just started and a long way to run. The final goal of this project is to build a All-In-One virtual environment for material development come with:
Massive dataset and Pre-trained models out-of-box
Various descriptor calculation methods
Model training and re-use
Combined with deep learning methods seamless
Visualization tools for analysis and publish ready
XenonPy inspired by matminer: https://hackingmaterials.github.io/matminer/.
XenonPy is a open source project https://github.com/yoshida-lab/XenonPy.
See our documents for details: http://xenonpy.readthedocs.io
Contribution guidelines
Discussion with others
Docstring use Numpy style.
Check codes with Pylint
Writing tests if possible
Contract
Copyright and license
Code and documentation © 2017 TsumiNa. Released under the BSD-3 license.
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