Requirement: Torch1110，Python3.7, Torch_geometric, Rdkit
Note: Four models (GIN_TRANSFORMER, GIN, GAT, GCN) are trained separately.
Information about the "data.zip" file: cell_ge.csv: cell line gene pathway activity scores. drug_cl_ic.csv: 80056 drug-cell line pair and their response LNIC50. drugsmile_GDSC: 173 drug Canonical SMILES.
Information about preprocess.py: create data in pytorch format.
Information about training.py: train a GPDRP model.
This returns the model and result files for the modelling achieving the best MSE for testing data throughout the training.
Information about utils.py: include TestbedDataset used by preprocess.py to create data, performance measures and functions to draw loss, pearson by epoch.
Information about the "GIN_TRANSFORMER.zip" file, "GIN.zip" file, "GAT.zip" file, "GCN.zip" file: include model and results file.