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1. airPLS airPLS Public

   baseline correction using adaptive iteratively reweighted Penalized Least Squares

   Python 120 28

2. libPeak libPeak Public

   Methods of peak detection for analytical instruments

   Python 51 14

3. baselineWavelet baselineWavelet Public

   Intelligent background-correction algorithm for highly fluorescent sample in Raman spectroscopy

   R 27 18

4. TEAM TEAM Public

   Transfer via Extreme learning machine Auto-encoder Method (TEAM)

   Python 20 9

5. SigmaCCS SigmaCCS Public

   Highly accurate and large-scale collision cross section prediction with graph neural network for compound identification

   Jupyter Notebook 16 7

6. pymass pymass Public

   Package for analyzing MS with Python

   C 11 5