Classifying atoms from Argon and Germanium Telluride configurations through python and machine learning techniques.
Contains the python scripts for implementation of the Ten Wolde method.
Contains the python scripts used to calculate descriptors from argon files and pickle them into a text file.
Contains the python scripts used to calculate descriptors from GeTe files and pickle them into a text file.
Contains the python scripts used to process the text files, process the descriptors for training and testing the neural network, and save them as an npy file.
Contains the neural networks used to classify argon atoms from solid fcc, liquid and amorphous structures.
Contains the neural networks used to classify atoms from alpha, beta and quenched GeTe structures.
Contains codes to produce some of the plots used within the investigation.