The second dataset is a voxel-based representation of the structures from the prepared refined set, which researchers can directly use to build new computational and deep learning-based applications. Furthermore, we also introduce DockTGrid, an open-source Python package developed by us to generate the voxel-based dataset. DockTGrid can also create new voxel representations with user-defined custom features using a simple programming interface in the Python programming language. The gridding computations performed by DockTGrid incorporate a GPU-accelerated implementation, ensuring faster processing times.