Atomic and molecular features for mixtures of molecules

[himanshisyadav]

I am working on property prediction for a mixture of molecules, particularly looking at mixtures of salts and solvents. The training code has the capability to take two molecules (--number_of_molecules) as an argument but I am not sure how to generate atomic and molecular features in this case. Can you please suggest what would be a good way to go about this?

Thanks!