Alternatives and similar repositories for molDiscovery

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

• YuanyueLi / FlashEntropySearch
  Flash entropy search
  ☆14Updated last year
• XiminHu / mass-suite
  ☆26Updated last year
• oolonek / ISDB
  A database of In-Silico predicted MS/MS spectrum of Natural Products
  ☆15Updated 2 years ago
• shuzhao-li-lab / PythonCentricPipelineForMetabolomics
  Python pipeline for metabolomics data preprocessing, QC, standardization and annotation
  ☆15Updated 6 months ago
• pnnl / deimos
  ☆34Updated 3 weeks ago
• ipb-halle / MetFragRelaunched
  Relaunch of the initial MetFrag project.
  ☆18Updated last week
• zmahnoor14 / MAW
  Metabolome Annotation Workflow
  ☆25Updated last year
• bittremieux-lab / falcon
  Large-scale tandem mass spectrum clustering using fast nearest neighbor searching.
  ☆29Updated last month
• rpeckner-broad / Specter
  Specter: linear deconvolution for targeted analysis of data-independent acquisition mass spectrometry proteomics
  ☆17Updated 6 years ago
• PHOENIXcenter / deeprtalign
  a deep learning-based retention time alignment tool for large cohort LC-MS data analysis
  ☆12Updated last year
• matchms / ms2deepscore
  Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
  ☆61Updated last week
• hcji / DeepMASS
  A known-to-unknown metabolite identification workflow
  ☆20Updated 4 years ago
• eMetaboHUB / FragHub
  ☆14Updated 3 weeks ago
• computational-metabolomics / msPurity
  R-package - Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics
  ☆16Updated last year
• MRMkit / MRMkit
  ☆9Updated 2 weeks ago
• merlin-ms / awesome-mass-spectral-libraries
  ☆19Updated last year
• mobiusklein / brainpy
  A Python implementation of Baffling Recursive Algorithm for Isotopic distributioN calculations
  ☆21Updated last month
• MetaSys-LISBP / IsoCor
  IsoCor: Isotope Correction for mass spectrometry labeling experiments
  ☆24Updated 2 months ago
• volvox292 / mass2smiles
  deep learning based prediction of structures and functional groups from MS/MS spectra
  ☆12Updated 4 months ago
• bittremieux-lab / GLEAMS
  GLEAMS is a Learned Embedding for Annotating Mass Spectra.
  ☆25Updated last year
• Merck / PepSeA
  ☆25Updated 3 years ago
• pnnl / MSAC
  ☆23Updated 3 months ago
• HuanLab / ISFrag
  A bioinformatic tool facilitating automated in-source fragmentation identification
  ☆10Updated 2 years ago
• WMBEdmands / compMS2Miner
  metabolite identification R-package for metabolomic high-resolution LC-MS datasets.
  ☆15Updated 8 years ago
• kaibioinfo / canopus_treemap
  CANOPUS visualization for Jupyter notebook
  ☆20Updated 3 years ago
• HuanLab / BUDDY
  Bottom-up MS/MS interrogation & Experiment-specific global annotation
  ☆28Updated 6 months ago
• pyQms / pyqms
  pyQms, generalized, fast and accurate mass spectrometry data quantification
  ☆28Updated 11 months ago
• madeleineernst / pyMolNetEnhancer
  ☆20Updated last year
• Elizachem / SMRT_transfer
  ☆10Updated 3 years ago
• vsegurar / DeepMSPeptide
  ☆17Updated 5 years ago