Hi,
It seems that in utils.calculate_dihedral_angles_over_minibatch, packed angles need to be moved to gpu.
You can observe this issue by adding another test example and try to run the preprocessing with the example experiment_id.
You can have a look at my solution in my fork!
Hi,
It seems that in utils.calculate_dihedral_angles_over_minibatch, packed angles need to be moved to gpu.
You can observe this issue by adding another test example and try to run the preprocessing with the example experiment_id.
You can have a look at my solution in my fork!