google-deepmind / alphafold

Open source code for AlphaFold 2.
Apache License 2.0
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@YiningWang2 #951

Open fereidoon27 opened 5 months ago

fereidoon27 commented 5 months ago
          @YiningWang2 

In AlphaFold, MSAs are built using jackhmmer and HHblits. To avoid the extensive data downloads and CPU processing, precomputed MSAs and the feature.pkl file can be used instead.

Due to my limited resources, I'm focusing on the GPU-based second step and considering tools like ColabFold to create the feature.pkl files.

What files and steps are needed to create the feature.pkl file? Is there a tool available on Google Colab or Kaggle for this?

Originally posted by @fereidoon27 in https://github.com/google-deepmind/alphafold/issues/341#issuecomment-2183163284