Data and model weights of PocketXMol

Data used to train/test PocketXMol and the model weights. It contains: Raw data for training (data_train_raw.tar.gz and the tar.gz files in raw_files.zip) Test data (data_test.tar.gz) Model weights (model_weights.tar.gz) The reduced, processed data for demonstration of training (data_train_processed.tar.gz)