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Improve colabfold MSAs to include unpaired MSA hits #213

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merged 6 commits into from
Dec 5, 2024

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wukevin
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@wukevin wukevin commented Dec 4, 2024

Description

Update MSA logic for MSA server queries to include both paired and unpaired MSA rows.

Motivation

When invoking the colabfold MSA server in paired mode, the MSAs returned only include those that could be matched on species (i.e., paired). However, there are usually many more MSAs that couldn't be matched on species. This updates logic to include those as well, resulting in much deeper MSAs in typical cases.

Our preprint also uses similar logic, where we we use both paired and unpaired MSAs, so this brings the behavior when using the mmseqs MSA option closer to that.

Test plan

Tested locally on:

  • multimer complex
  • monomer
  • no protein complex

@wukevin wukevin requested a review from jackdent December 4, 2024 22:50
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@wukevin wukevin requested a review from jackdent December 5, 2024 01:20
@jackdent jackdent merged commit 6061e41 into main Dec 5, 2024
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@jackdent jackdent deleted the kevin/mmseqs-msa-improvements branch December 5, 2024 01:21
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2 participants