Yangtian Zhang comments

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                                            Yangtian Zhang

retraining diffpack

Hi @linbc-73, thanks for pointing this out. We're working on reformating and updating the training code, and we expect to have this update ready within the next month.

CUDA index out of bounds

Hi @BL-Lac149597870, this error seems to indicate the it is attempting to access an element of a tensor or array at an index that does not exist. Have you checked...

CUDA index out of bounds

Hi @BL-Lac149597870, can you locate which pdb cause this issue and share the file?

Customized Position Repacking in DiffPack

Hi @YaoYinYing! Thank you for your interest in our project. While DiffPack is not currently designed for this specific purpose, your suggestion to repack only a few residues while keeping...

Code to evaluate steric clashes

Hi @gvisani, thanks for pointing this out. We're working on updating the evaluation code to include these specifics, and we expect to have this update ready within the next month....