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pySubstructures

A Python package to perform unsupervised discoveries of motifs from tandem mass spectrometry data.

Python TODO:

  • Add codes from the lda repo.
  • Tidy up codes, and keep only the ones we actually use.
  • MolnetEnhancer support
  • MotifDB support when running LDA inference
  • MESSAR support
  • Labelled LDA support
  • Matchms compatibility
  • PALS support
  • Create a Python package

Maybe:

  • MAGMa-MS2LDA support
  • Gensim support
  • Classyfire functions

Visualisation TODO:

  • Setup skeleton project for the offline viewer

MS2LDA.org TODO:

  • Replace the lda codes used on the server with this package
  • Migrate server to Django 2.0 / Python 3

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A Python package to perform unsupervised discoveries of motifs from tandem mass spectrometry data.

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