phupe

What is the status of this PR that would be very useful?

I had similar issue using DiffDock v1.1.1. However it works using the data examples provided in https://github.com/gcorso/DiffDock/tree/main/data/1a0q: `python -m inference --config diffdock_default_inference_args.yaml --protein_path 1a0q_protein_processed.pdb --ligand_description 1a0q_ligand.sdf --out_dir test1-1a0q` But it...

Further test: **It fails** with `AF-P00519-F1-model_v4.pdb` and `1a0q_ligand.sdf`: ` python -m inference --config diffdock_default_inference_args.yaml --protein_path AF-P00519-F1-model_v4.pdb --ligand_description 1a0q_ligand.sdf --out_dir AF-P00519-F1-model_v4/DB00619` It raises this error: ``` Generating ESM language model embeddings...

Last test that was successul with this PDB directly directly produced by AlphaFold I ran myself `python -m inference --config diffdock_default_inference_args.yaml --protein_path ranked_0.pdb --ligand_description DB00619.sdf --out_dir ranked_0/DB00619` [ranked_0.pdb.txt](https://github.com/gcorso/DiffDock/files/15138141/ranked_0.pdb.txt)

Thank you @prathithbhargav for this information, I was not aware of this limitation.