The Jupyter Notebook file called "generate_voxel_dataset.ipynb", available inside the "notebooks" folder of the source code repository , provides an example of how to generate the voxel representation used in this work. DockTGrid uses PyTorch (), a popular open-source deep learning library, to generate the voxel representations using GPU, if available. The code illustrates the application of random rotation as a data transformation technique, which can be useful when training machine learning models.