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LoL-align: probability scoring, output, clustering and CI - #595

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LoL-align: probability scoring, output, clustering and CI#595
lasseReifenrath wants to merge 1 commit into
steineggerlab:masterfrom
lasseReifenrath:master

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@lasseReifenrath

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Add the LoL-align alignment mode (--alignment-type 3) end to end:

  • Homology-probability classifier (LoLAlignProbability) with a 39-feature MLP; store the probability in result.score (*10000) and the normalized LoL-score in result.eval.
  • tmalign.cpp: self-hit handling for the LoL-align path.
  • convertalis: register --alignment-type (forwarded by easy-search) and rescale score back to [0,1] on output for the bits/prob/raw columns, the default and empty format-output tab, BLAST+len (-m 2) and HTML (-m 3). SAM (-m 1) stays on the bit-score path.
  • StructureCluster: dispatch --alignment-type 3 in the cascaded clustering workflow (main alignment + reassignment steps).
  • Regression: bump submodule to the updated LoL-align search targets (SFAM 0.448889, FOLD 0.27193).
  • mac-arm64 CI: install rust via rustup.rs (Homebrew rustup no longer ships rustup-init) and export cargo to PATH for the block_aligner build.
  • README: add the LoL-align publication and document the new parameters.

Add the LoL-align alignment mode (--alignment-type 3) end to end:

- Homology-probability classifier (LoLAlignProbability) with a 39-feature
  MLP; store the probability in result.score (*10000) and the normalized
  LoL-score in result.eval.
- tmalign.cpp: self-hit handling for the LoL-align path.
- convertalis: register --alignment-type (forwarded by easy-search) and
  rescale score back to [0,1] on output for the bits/prob/raw columns,
  the default and empty format-output tab, BLAST+len (-m 2) and HTML
  (-m 3). SAM (-m 1) stays on the bit-score path.
- StructureCluster: dispatch --alignment-type 3 in the cascaded
  clustering workflow (main alignment + reassignment steps).
- Regression: bump submodule to the updated LoL-align search targets
  (SFAM 0.448889, FOLD 0.27193).
- mac-arm64 CI: install rust via rustup.rs (Homebrew rustup no longer
  ships rustup-init) and export cargo to PATH for the block_aligner build.
- README: add the LoL-align publication and document the new parameters.
@sooyoung-cha

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Hello! Did you mean to upload the .gitignore file as well?

@lasseReifenrath

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No, this was by mistake

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