At the moment this contains my data extraction for my study of Heusler alloy stability. Using the extremely useful aflow library from Conrad Rosenbrock.
Also contained (in cgcnn.py) is complex feature extraction from all magnetic materials simulated on aflow. With inspiration from Tian Xie's Crystal Graph Convolutional Neural Network (CGCNN) see paper:
https://arxiv.org/abs/1710.10324
I need to develop more expertise in convolutional neural networks before I can implement a fully-connected CNN which can handle variable sized matrieces.