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airpls

baseline correction using adaptive iteratively reweighted Penalized Least Squares

airpls_r

R version of airPLS

alignde

Peak alignment using wavelet pattern matching and differential evolution

baselinewavelet

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

cams

A new alignment via Mass Spectra

deeppic

gnn-tl

google_scholar_export

hpic

Feature Extraction for LC-MS via Hierarchical Density Clustering

ios

Representative subset selection and outlier detection via isolation Forest

isospec

Libraries for fine isotopic structure calculator.

kpic

kpic2

KPIC2: An Effective Framework for Mass Spectrometry-Based Metabolomics Using Pure Ion Chromatograms

libpeak

Methods of peak detection for analytical instruments

mars

MS-Assisted Resolution of Signal

mwfft2

Robust alignment of chromatograms by Moving Window Fast Fourier Transfrom

pfg

Parallel Formula Generator

pymass

Package for analyzing MS with Python

rwpd

Recursive wavelet peak detection and deconvolution

sigmaccs

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

spc

Module for reading, exploring and converting *.spc spectroscopic binary data in Python.

team

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