Andrij Vasylenko's Projects
A python implement of Atom2Vec: a simple way to describe atoms for machine learning
BO DoE MOF
Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments
ML fit of positive weights for gaussians to represent a curve as a sum
Parallelised Thompson Sampling in GPs for Bayesian Optimisation
Gaussian Process Optimization using GPy
Unsupervised ranking of the elemental combinations (phase fields) by similarity with the patterns learnt from ICSD
A Python Toolbox for Scalable Outlier Detection (Anomaly Detection)
Regression and classifier: NN vs Random Forest
Graph Neural Networks with Keras and Tensorflow 2.