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develop a deeprank analysis module #569

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mgiulini opened this issue Nov 10, 2022 · 1 comment
Open

develop a deeprank analysis module #569

mgiulini opened this issue Nov 10, 2022 · 1 comment
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@mgiulini @ntxxt
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feature New feature request m|deeprank deeprank module

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@mgiulini
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The idea would be to develop a deeprank cnn/gnn scoring module inside haddock3. It will be part of the analysis modules, as typically scoring modules are those that modify the coordinates.
@mgiulini mgiulini added enhancement Enhancing an existing feature of adding a new one m|deeprank deeprank module labels Nov 10, 2022
@mgiulini
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talked to @ntxxt , who has been able to succesfully embed Deeprank CNN in haddock3. We need a few more things:

  • testing the regression CNN score on a set of "decent" complexes
  • think about the GNN version (this will be another issue/PR)
  • check the input file sequence to obtain the PSSM
  • adapt the module to haddock3 (adjust paths etc.)

@rvhonorato rvhonorato added feature New feature request and removed enhancement Enhancing an existing feature of adding a new one labels Dec 13, 2023
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@mgiulini mgiulini

@ntxxt ntxxt

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feature New feature request m|deeprank deeprank module
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@rvhonorato @mgiulini @ntxxt