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TencentAI4S / tfold

open source code for Tencent tFold
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size limitation of antigen #7

Open bzhousd opened 6 months ago

bzhousd commented 6 months ago

Thank you for your brilliant work. I have a question about the size limitation of antigen in tFold-Ag. I got an error message, "CUDA out of memory." when I used a long antigen sequence. I tried to reduce the length of the sequence, I found that the limitation is 350-400 AAs when I use Nvidia A100, which has 40GB GPU memory. I have ~30 protein with long antigen, I wonder if you have any suggestions to reduce the GPU memory usage. Thanks

wufandi commented 6 months ago

you can set chunk_size to 512 in https://github.com/TencentAI4S/tfold/blob/master/projects/tfold_ag/predict.py#L67 This can save a lot of memory at the expense of computation time

We will expose this interface to users in the next update (This month)