Alternatives and similar repositories for PyLSS:

Users that are interested in PyLSS are comparing it to the libraries listed below

• BAMeScience / fiora
  Fiora is an in silico fragmentation algorithm for small compounds that produces simulated tandem mass spectra (MS/MS). The framework empl…
  ☆26Updated this week
• pnnl / darkchem
  ☆32Updated 2 months ago
• mobiusklein / ms_peak_picker
  A small library to provide peak picking for software processing mass spectrometry data
  ☆21Updated 2 months ago
• bihealth / NeatMS
  NeatMS is an open source python package for untargeted LCMS signal labelling and filtering.
  ☆32Updated 3 years ago
• ma-bio21 / pyms
  ☆12Updated 7 years ago
• MatteoLacki / IsoSpec
  Libraries for fine isotopic structure calculator.
  ☆39Updated 3 weeks ago
• HuanLab / ISFrag
  A bioinformatic tool facilitating automated in-source fragmentation identification
  ☆10Updated 2 years ago
• pnnl / MSAC
  ☆22Updated last year
• Qiong-Yang / FastEI
  Ultra-fast and Accurate Spectrum Matching
  ☆25Updated last year
• computational-metabolomics / beamspy
  BEAMSpy - Birmingham mEtabolite Annotation for Mass Spectrometry (Python Package)
  ☆17Updated last year
• pnnl / deimos
  ☆33Updated 2 months ago
• iomega / spec2vec_gnps_data_analysis
  Analysis and benchmarking of mass spectra similarity measures using gnps data set.
  ☆24Updated 3 years ago
• matchms / ms2deepscore
  Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
  ☆59Updated last week
• PyMassSpec / PyMassSpec
  Python Toolkit for Mass Spectrometry
  ☆34Updated this week
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆31Updated 5 years ago
• RogerGinBer / RHermes
  RHermes is a semi-targeted metabolomics package to deeply characterize biological and environmental samples.
  ☆25Updated last year
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆58Updated last week
• domdfcoding / pynist
  PyMassSpec extension for searching mass spectra using NIST's Mass Spectrum Search Engine.
  ☆19Updated last week
• pyQms / pyqms
  pyQms, generalized, fast and accurate mass spectrometry data quantification
  ☆28Updated 7 months ago
• biorack / simile
  ☆16Updated 2 years ago
• XiminHu / mass-suite
  ☆23Updated last year
• MetaSys-LISBP / IsoCor
  IsoCor: Isotope Correction for mass spectrometry labeling experiments
  ☆24Updated last month
• kmansouri / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆97Updated 4 months ago
• YuanyueLi / SpectralEntropy
  The similarity score for spectral comparison
  ☆75Updated 7 months ago
• huibinshen / fingerid
  Molecular fingerprint prediction from MS/MS (FingerID).
  ☆18Updated 6 years ago
• MRMkit / MRMkit
  ☆8Updated 5 months ago
• JamesJeffryes / pyclassyfire
  A python client for the ClassyFire API
  ☆16Updated 4 years ago
• michaelmarty / UniDec
  Universal Deconvolution of Mass and Ion Mobility Spectra
  ☆68Updated this week
• Tarskin / HappyTools
  A tool for the (high-throughput) processing of HPLC data.
  ☆36Updated last year
• sirius-ms / sirius
  SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository…
  ☆98Updated 3 weeks ago