diffab

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Can an antibody target region be defined? I had tried and found that the results targeted different regions. It would be nice to provide a custom region. thanks

Jiny-Wang

Hi there, How much time does it take to train a model? Thanks!

sahamitul

In lines 201 and 202 of the code, both alpha and alpha_bar use the same set of parameters.

1

https://github.com/luost26/diffab/blob/c3e2966601bf8025025ab87717b31b08fdd4834e/diffab/modules/diffusion/transition.py#L201C9-L201C61

NumnumnumM

在运行sabdab.py代码，发生报错

5

在运行sabdab.py代码，发生报错，请问该如何解决呀 第一个错误：报ValueError: invalid literal for int() with base 10: 'V'异常， 第二个错误如图，请教这两个问题都是怎么合理解决的呀 

jinzhuwei

Issue with non-reproducibility in the energy calculation

2

Hi, As a proof-of-concept, I've been trying to sample the H-CDR3 structure of a given antibody to see if your method would be able to reproduce the crystal structure conformation....

alexandrefassio

Designed CDR clashed with antigen

1

Dear author, [5CIL_0023_CDRH3.pdb.zip](https://github.com/luost26/diffab/files/12675852/5CIL_0023_CDRH3.pdb.zip) I did single cdr loop CDRH3 structure-sequence co-design with input as a pair of Ab-Ag complex and using this exact config file https://github.com/luost26/diffab/blob/main/configs/test/codesign_single.yml. Interestingly, one of the...

wusixer

add except in sabdab

1

some proteins are too long for Biopython to deal with. Add `exception` to override these .pdb files.

v-shaoningli

Issues with Sidechain packing

2

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...

IrumHu

在esign_for_testset.py中 parser.add_argument('index', type=int) 这个 index 代表什么意思呀，谢谢指教

jinzhuwei

 Could you explain the derivation in more detail？ https://github.com/luost26/diffab/blob/main/diffab/modules/diffusion/transition.py#L204

jiaweiguan