Can't backmap with test data

[qasmokez]

Hi,

Thank you for sharing this work!
I am trying to run the code on the provided test data as shared in the README.

When I "backmap the PDB test data using the PDB-trained model" with this command:
python run_eval.py --training_set PDB --data_type aa --pdb_dir ../data/PDB_test_pdbs/
It finishes all the steps successfully but errors when converting to mdtraj:

Traceback (most recent call last):
  File "/DiAMoNDBack/scripts/run_eval.py", line 260, in <module> 
    iterative_inference(data, training_set, cond_type, n_cond_res, model_name, pdb_save_names=pb_save_names, dtime=dtime,
  File "/DiAMoNDBack/scripts/run_eval.py", line 249, in iterative_inference
    crd_to_mdtrj(all_seqs, all_crds_ref, all_crds, end_id_list,
  File "/DiAMoNDBack/scripts/utils.py", line 792, in crd_to_mdtrj
    sb_ref = scn.StructureBuilder(s, crd=c)
  File "/home/md-mi/miniconda3/envs/diffback/lib/python3.10/site-packages/sidechainnet/structure/StructureBuilder.py", line 95, in __init__
    raise ValueError(
ValueError: The length of the coordinate matrix must match the sequence length. You have provided coords. shape[0] = 3080.

Additionally, when I "backmap the DES test set using the DES-finetuned model" with this command:
python run_eval.py --training_set PDB_DES-FT --data_type aa --pdb_dir ../data/all_train_test_pdbs/DES_test
It gives this error:

trained models/train_PDB_DES-FT/32-1-2-4-8-6128-11.0-05-gammal.0--rescale20.0- 1
Milestone = 15
Traceback (most recent call last):
  File "/DiAMoNDBack/scripts/run_eval.py", line 260, in <module>
    iterative_inference(data, training_set, cond_type, n_cond_res, model_name, pdb_save_names=pdb_save_names, dtime=dtime,
  File "/DiAMoNDBack/scripts/run_eval.py", line 181, in iterative_inference
    for i in range (max(n_res_list)):
ValueError: max() arg is an empty sequence

May I ask how to fix this?

Thanks