Alternatives and similar repositories for molDiscovery

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

• zmahnoor14 / MAW
  Metabolome Annotation Workflow
  ☆25Updated last year
• XiminHu / mass-suite
  ☆25Updated last year
• shuzhao-li-lab / PythonCentricPipelineForMetabolomics
  Python pipeline for metabolomics data preprocessing, QC, standardization and annotation
  ☆14Updated 6 months ago
• YuanyueLi / FlashEntropySearch
  Flash entropy search
  ☆14Updated last year
• ipb-halle / MetFragRelaunched
  Relaunch of the initial MetFrag project.
  ☆18Updated this week
• pnnl / MSAC
  ☆23Updated 2 months ago
• madeleineernst / pyMolNetEnhancer
  ☆20Updated last year
• eMetaboHUB / FragHub
  ☆12Updated last week
• biosustain / pyOpenMS_UmetaFlow
  Untargeted metabolomics workflow for data processing and analysis written in Jupyter notebooks (Python)
  ☆21Updated 6 months ago
• HuanLab / BUDDY
  Bottom-up MS/MS interrogation & Experiment-specific global annotation
  ☆28Updated 5 months ago
• Philipbear / msbuddy
  a python package for molecular formula analysis in MS-based small molecule studies
  ☆27Updated 3 months ago
• computational-metabolomics / msPurity
  R-package - Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics
  ☆16Updated last year
• oolonek / ISDB
  A database of In-Silico predicted MS/MS spectrum of Natural Products
  ☆15Updated 2 years ago
• matchms / ms2deepscore
  Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
  ☆61Updated last week
• MRMkit / MRMkit
  ☆9Updated last month
• mobiusklein / brainpy
  A Python implementation of Baffling Recursive Algorithm for Isotopic distributioN calculations
  ☆21Updated 2 weeks ago
• OpenMS / pyopenms_viz
  Streamlining Mass Spectrometry Data Visualization with Pandas
  ☆14Updated last month
• merlin-ms / awesome-mass-spectral-libraries
  ☆19Updated last year
• hcji / DeepMASS
  A known-to-unknown metabolite identification workflow
  ☆21Updated 4 years ago
• HuanLab / ISFrag
  A bioinformatic tool facilitating automated in-source fragmentation identification
  ☆10Updated 2 years ago
• lkytal / PredFull
  This work was published on Analytical Chemistry: Full-Spectrum Prediction of Peptides Tandem Mass Spectra using Deep Neural Network
  ☆29Updated last year
• zhanghailiangcsu / MSBERT
  Improve the accuracy of database search by using BERT to embed MS/MS reasonably
  ☆18Updated 7 months ago
• iomega / ms2query
  MS2Query - machine learning assisted library querying of MS/MS spectra
  ☆45Updated 2 weeks ago
• volvox292 / mass2smiles
  deep learning based prediction of structures and functional groups from MS/MS spectra
  ☆12Updated 4 months ago
• mwang87 / NP-Classifier
  ☆24Updated 8 months ago
• YuanyueLi / MSEntropy
  Spectral entropy for mass spectrometry data.
  ☆29Updated 3 months ago
• bittremieux-lab / falcon
  Large-scale tandem mass spectrum clustering using fast nearest neighbor searching.
  ☆28Updated 2 weeks ago
• eMetaboHUB / MS-CleanR
  ☆25Updated last year
• bihealth / NeatMS
  NeatMS is an open source python package for untargeted LCMS signal labelling and filtering.
  ☆32Updated 3 years ago
• YuanyueLi / EntropySearch
  Search spectral library with entropy similarity
  ☆20Updated last month