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develop a deeprank analysis module

Open mgiulini opened this issue 3 years ago • 6 comments

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 avatar Nov 10 '22 08:11 mgiulini

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.)

mgiulini avatar Dec 16 '22 11:12 mgiulini