google-deepmind / google-deepmind/alphafold

ETL (msa+templates) should be separated from inference

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feature request
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Python
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Description

Dear all,

for our application, we need the possibility to run ETL (in this case MSA+templates) separate from inference.

At the moment this is not supported, but having a look at the code it should be a relatively simple thing to add a flag to stop the pipeline after the ETL is done. And if I understand correctly, the pipeline already resumes from the right point when use_precomputed_msa is used (although for some reason, the templates are always recomputed, but that does not take too long).

Is such a feature already implemented? Maybe it's planned? If not, are you accepting PRs? I would be glad to contribute some code, rather than manually hacking my private version.

Andrea.

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