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luost26 / diffab

✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)
Apache License 2.0
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Issues with Sidechain packing #10

Open IrumHu opened 1 year ago

IrumHu commented 1 year ago

Hi , for the 7DK2_AB_C.pdb I have sampled it using codesign_multicdrs.yml and when I am trying to do side chain packing and full atom refinement it is giving errors.I am running the differ/tools/relax/run.py over the sampled files.

Screenshot 2022-12-22 at 7 21 10 PM
Samuel-gwb commented 1 year ago

Hi, I am also trying to do side chain packing and refinement. Can you share your full command with options? Thanks

YinHan-Zhang commented 1 year ago

i want to eval results ,so i run diffab/diffab/tools/eval/run.py,but it has something errors in ray and i don't know why? image