DiffPack

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The google drive links point to the same file

1

Hi, The 2 google links point to the same file. Best,

CLG68

retraining diffpack

5

Hi, I am very interested in Diffpack and hoping to know if there is any script that I can retrain Diffpack with?

linbc-73

CUDA index out of bounds

4

When I executed the 'inference.py' script, I encountered a CUDA error. The error message is displayed in the following image: This error occurred immediately after the script completed executing line...

BL-Lac149597870

Code to evaluate steric clashes

2

Hi, could you provide code to evaluate steric clashes? There are some details missing from the paper appendix that prevent from rewriting it (namely, what are the predefined distance thresholds...

gvisani

Customized Position Repacking in DiffPack

1

Hi, I really like this project. For many protein design tasks with just a few mutations, local repacking around specific positions is more computationally efficient. Can DiffPack repack customized positions...

YaoYinYing

Hi, when I use the default config to generate p_ and score_ in SO2Schedule, I noticed that some 0 values occur in p_, which subsequently lead to NaN values in...

annie393

I follow the instruction and run the `python script/inference.py`. Then I got this error: ``` /conda/envs/diffpack/lib/python3.8/site-packages/torch_cluster/_version_cpu.so: undefined symbol: _ZN5torch3jit17parseSchemaOrNameERKSs ```

Aunity

Explicit valence for atom # 219 C, 5, is greater than permitted

1

When I run diffpack on an antibody design I generated from diffab, I get the above error and it writes nothing to disk and just exits. This is the pdb...

wjs20

Hi, Thanks for your work on this amino acid chain repacking model. I'm trying to implement it in my protein design pipeline. Is there any way to extract the confidence...

DaHenz

Cannot Determine Side Chain Positions from Backbone Only

1

### Description: The current implementation of **DiffPack does not allow for the determination of side chain atom positions** starting from a backbone structure **if no initial coordinates for the side...

dallouche