haddock3
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develop a deeprank analysis module
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.
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.)