Yining Wang

An error on openmm

1

Hi, when i used openmm to relax the structure, i sometimes met a cuda error as metioned below. Could anyone give me a help? `Error loading CUDA module: CUDA_ERROR_UNSUPPORTED_PTX_VERSION (222)`

about kapre.utiils

1

Hi, when i used "from kapre.utils import Normalization2D", I met this error which said No module named 'kapre.utils'. I see your package, and found that there is surely no utils.py....

CUDA Error in openmm

2

Hi, when i used openmm to relax the structure, i sometimes met a cuda error as metioned below. Could anyone give me a help? `Error loading CUDA module: CUDA_ERROR_UNSUPPORTED_PTX_VERSION (222)`

About the memory consumption

1

Hi, When i read the support information of AlphaFold2, I got confused about the "1.11.8 Reducing the memory consumption". It said that when using the technique called gradient checkpoint, the...

About the evaluation in CASP14

2

Hello everyone. I am doing some evaluation jobs of the inference pipeline. I am wondering how to evaluate the result pdb file such like TM-score, for those proteins that CASP14...

About the memory consumption

1

Hi, When i read the support information of AlphaFold2, I got confused about the "1.11.8 Reducing the memory consumption". It said that when using the technique called gradient checkpoint, the...

About the distributed inference

2

Hi, I saw you upload inference.py. I thought that it can support the inference on multi-gpu. So i wonder how to set the parameter on "--model-device". Thanks so much.

Hello, When i use this code to generate features, this problem occurred. But i am sure that this path `/mnt/VMSTORE/protein/pdb70/` exists. 

An error in feature generation

1

Hi, When I used your new version to make fearure.pkl, this error occurred, could you give any advice on how to solve it? FATAL Flags parsing error: Unknown command line...