Add a DL training set for DTI models

[AndreaVolkamer]

Description

Generate 3D data sets including PDB files and ligand information for DL applications.

Todos

Notable points that this PR has either accomplished or will accomplish.

• [ ] TODO 1

Questions

• [ ] Question1

Status

• [ ] Ready to go

[AndreaVolkamer]

@Old-Shatterhand Let's put our script to generate the dataset here.