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AF2 Model Parameters Download for af2_metrics.py #27

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Germanki opened this issue Sep 19, 2022 · 1 comment
Open

AF2 Model Parameters Download for af2_metrics.py #27

Germanki opened this issue Sep 19, 2022 · 1 comment

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@Germanki
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Hi RFDesign team,

I've been trying to run the af2_metrics.py program and after solving issue #26, I found that the model 4 parameters for AF2 weren't downloaded:
File "/home/ec2-user/RFDesign/scripts/../hallucination/models/alphafold/alphafold/model/data.py", line 36, in get_model_haiku_params with open(path, 'rb') as f: FileNotFoundError: [Errno 2] No such file or directory: '/software/mlfold/alphafold-data/params/params_model_4.npz'

I looked into how to download them by looking at the alphafold repo that is cloned into hallucination/models/alphafold.
The readme explains that there is a script in hallucination/models/alphafold/scripts called download_alphafold_params.sh to do this.
af2_metrics.py tries to get the model parameters from /software/mlfold/alphafold-data/params/
This doesn't exist on my machine but I thought about creating this folder using mkdir and then running download_alphafold_params.sh to this directory.
Alternatively, I also tried creating a folder called hallucination/models/alphafold/alphafold-data/params/ and installing to here.
Then I changed the code in the af2_metrics.py command so that it could find the model parameters.
Running download_alphafold_params.sh also required aria2 to be installed (sudo apt install aria2 or yum install aria2 or conda install aria2) (however, I am currently stuck here on my machine because there are some inconsistencies between aria2 and the version of openssl/libssl that my machine is running :( )

Would you have any other suggestions for how to install the model 4 parameters?
Perhaps you would be able to design a way as part of the workflow of af2_metrics.py to install the af2 model 4 parameters to a place that af2_metrics can easily call from whatever machine is running the af2_metrics?

With Kind Regards,
Adam

@jueseph
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jueseph commented Sep 22, 2022 via email

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