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MMSeqsGPU support #672

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MMSeqsGPU support #672

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kierandidi
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  • Add MMseqsGPU support to the search script
  • Add README instructions on how to use that new mode

Discussed with @milot-mirdita and @martin-steinegger

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martin-steinegger commented Dec 21, 2024

@kierandidi thank you so much for the PR. Do you plan that colabfold_envdb_202108_db is already padded since I do not see no makepaddedseqdb call?

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kierandidi commented Dec 21, 2024

@kierandidi thank you so much for the PR. Do you plan that colabfold_envdb_202108_db is already padded since I do not see no makepaddedseqdb call?

@martin-steinegger Exactly, the makepaddedseqdb calls for pdb100 are implemented in the updated setup_databases.sh script that is part of this MR as well and for uniref/colabfold it should be enough to generate them via --index-subset 2 as implemented in the setup_databases.sh script. The instructions in the README ask the user to set the databases up with the GPU option in order to get the padded dbs. Does that make sense?

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