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runner.score(
... pdb_file="/mnt/cephfs/s2z5/hmj/Frame2seq-main/frame2seq/6KHK_chainA_clean.pdb",
... chain_id="A",
... save_indiv_neg_pll=True,
... verbose=True
... )
/mnt/cephfs/s2z5/hmj/Frame2seq-main/frame2seq/utils/place_ideal_atoms.py:18: UserWarning: Using torch.cross without specifying the dim arg is deprecated.
Please either pass the dim explicitly or simply use torch.linalg.cross.
The default value of dim will change to agree with that of linalg.cross in a future release. (Triggered internally at /pytorch/aten/src/ATen/native/Cross.cpp:63.)
n_vec = (b_coord - a_coord).expand(bc_vec.shape).cross(bc_vec)
Traceback (most recent call last):
File "", line 1, in
File "/mnt/cephfs/s2z5/hmj/Frame2seq-main/frame2seq/Frame2seqRunner.py", line 69, in score
score(self, pdb_file, chain_id, fasta_file, save_indiv_neg_pll)
File "/mnt/cephfs/s2z5/hmj/Frame2seq-main/frame2seq/utils/score.py", line 30, in score
pred_seq1 = self.models[0].forward(X, seq_mask, input_aatype_onehot)
~~~~~~~~~~~^^^
IndexError: list index out of range