Examples¶ Proteins¶ Antibody Developability Prediction with E(N) GNNs Loading Data from TDC Removing Obsolete Structures Creating Labels Creating Graphs and Dataloaders with Graphein Model Molecules¶ Predicting Acute Toxicity LD50 Creating Molecular Graphs with Graphein Define Model Train! Test Splitting a Protein Dataset into Training and Test Sets Requirements Building the Dataset FASTA Clustering the Data Inspecting the split