gcorso
size of tensor must match error
Hi i am using diffdock docker image with the following command, but getting this error . i tried with conda as well but stuck with same error. can you please point the mistake?
(diffdock) appuser@dcb31e1e799d:~/DiffDock$ python -m inference --config default_inference_args.yaml --protein_path /data/protein.pdb --ligand /data/ligand.sdf /home/appuser/micromamba/envs/diffdock/lib/python3.9/site-packages/Bio/pairwise2.py:278: BiopythonDeprecationWarning: Bio.pairwise2 has been deprecated, and we intend to remove it in a future release of Biopython. As an alternative, please consider using Bio.Align.PairwiseAligner as a replacement, and contact the Biopython developers if you still need the Bio.pairwise2 module. warnings.warn( Generating ESM language model embeddings Processing 1 of 1 batches (1 sequences) 0it [00:00, ?it/s]/home/appuser/DiffDock/datasets/parse_chi.py:91: RuntimeWarning: invalid value encountered in cast Y = indices.astype(int) Skipping complex_0 because of the error: Sizes of tensors must match except in dimension 1. Expected size 1514 but got size 1022 for tensor number 1 in the list. [2025-Jan-11 02:32:54 UTC] WARNING -The test dataset did not contain complex_0 for /data/ligand.sdf and /data/protein.pdb. We are skipping this complex. 1it [00:01, 1.13s/it] [2025-Jan-11 02:32:54 UTC] WARNING - Failed for 0 / 1 complexes. Skipped 1 / 1 complexes.
