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jspaezp
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elfragmentador
This repository attempts to implement a neural net that leverages the transformer architecture to predict peptide properties (retention time and fragmentation).
https://jspaezp.github.io/elfragmentador/
Apache License 2.0
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Features for next release
#9
Open
jspaezp
opened
1 year ago
jspaezp
commented
1 year ago
[x] Add explicit section testing the performance of the model on diverse data
[x] EnciclopeDIA spectral library support
[x] backend migration to ms2ml
[x] remove constants
[x] transition annotation logic
[x] transition parsing
[ ] transition dataset evaluation logic
[x] Disable ascore filtering and move ascore calculation to ms2ml
[x] Disable ascore filtering
[ ] Implement ascore in ms2ml
[x] implement tensor -> spec and tensors -> peptides in ms2ml
[x] Fix documentation ... having the delayed annotation in mkdocstrings makes it so it does not render the actual help
[x] move notebooks to quarto (also use quarto to make cli docs)
jspaezp
commented
1 year ago
https://github.com/jspaezp/elfragmentador/pull/10