In the paper "Regio-Selectivity Prediction with a Machine-Learned Reaction Representation and On-the-Fly Quantum Mechanical Descriptors", you metioned that ml-QM-GNN model is able to predict reaction yield on Doyle's dataset, while I couldn't find this dataset in this GitHub project. Would you please provide this dataset and the code to preprocess the dataset and train model on this dataset?
In the paper "Regio-Selectivity Prediction with a Machine-Learned Reaction Representation and On-the-Fly Quantum Mechanical Descriptors", you metioned that ml-QM-GNN model is able to predict reaction yield on Doyle's dataset, while I couldn't find this dataset in this GitHub project. Would you please provide this dataset and the code to preprocess the dataset and train model on this dataset?