BNN Regression on Molecules.ipynb
Bayesian Optimisation Over Molecules.ipynb
Bayesian_GNN_on_Molecules.ipynb
GP Regression on Molecules.ipynb
Input Warping Bayesian Optimisation Over Molecules.ipynb
Loading and Featurising Molecules.ipynb
Molecular Preference Learning.ipynb
Multitask GP Regression on Molecules.ipynb
Preferential Bayesian Optimisation.ipynb
Protein Fitness Prediction - Bag of Amino Acids.ipynb
Protein Fitness Prediction - SSK GP.ipynb
Sparse GP Regression for Big Molecular Data.ipynb
Training GPs on Graphs.ipynb
external_graph_kernels.ipynb
pretrained_graph_kernel.ipynb
string_kernel_example.ipynb
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