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Create the first msp2model converter #20

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raar1 opened this issue Oct 27, 2022 · 1 comment
Open
4 tasks

Create the first msp2model converter #20

raar1 opened this issue Oct 27, 2022 · 1 comment

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@raar1
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raar1 commented Oct 27, 2022

  • Add a msp2model directory to the base of aiproteomics (so that it would be accessible as aiproteomics.msp2model in the python package)
  • Add a module containing a function that converts a provided, standard .msp spectral library file, into the raw input expected for the transformer retention time model (this is the model currently generated here, but that will be made into a model generator in issue Create the first model generator #19)
  • Make converter flexible enough to handle e.g. different input sequence lengths
  • Output as HDF5 containing the necessary input an output layer data for training
@raar1
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raar1 commented Oct 27, 2022

.msp reading should be done using the matchms library

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