Examples

This page includes examples for jl_spectra_2_structure.

Experimental Prediction Examples

This contains an examples showing how to use an existing ensemble of neural networks to predict occupied adsorption sites.

Experimental Prediction using a Binding-type and GCN NN Ensembles

Wasserstein loss examples

This contains an example demonstrating the effect of wasserstein loss and its derivative with respect to the softmax. This is used in backpropagation in jl_spectra_2_structure.neural_network.

Wasserstein loss and its derivative used in jl_spectra_2_structure