Alternatives and similar repositories for spec2vec_gnps_data_analysis

Users that are interested in spec2vec_gnps_data_analysis are comparing it to the libraries listed below

• iomega / spec2vec
  Word2Vec based similarity measure of mass spectrometry data.
  ☆72Updated 11 months ago
• idslme / IDSL_MINT
  A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data
  ☆24Updated last year
• lucinamay / biosynfoni
  a *biosynformatic* fingerprint to explore natural product distance and diversity
  ☆18Updated last month
• biosustain / pyOpenMS_UmetaFlow
  Untargeted metabolomics workflow for data processing and analysis written in Jupyter notebooks (Python)
  ☆22Updated 8 months ago
• Philipbear / msbuddy
  a python package for molecular formula analysis in MS-based small molecule studies
  ☆28Updated 3 weeks ago
• pnnl / MSAC
  ☆23Updated 4 months ago
• michaelwitting / RepoRT
  This repository contains training data for retention time prediction for the identification of metabolites from non-targeted LC-MS based …
  ☆52Updated 2 weeks ago
• mobiusklein / ms_peak_picker
  A small library to provide peak picking for software processing mass spectrometry data
  ☆23Updated 8 months ago
• pnnl / darkchem
  ☆32Updated 7 months ago
• bihealth / NeatMS
  NeatMS is an open source python package for untargeted LCMS signal labelling and filtering.
  ☆33Updated 3 years ago
• matchms / ms2deepscore
  Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
  ☆67Updated 2 weeks ago
• bittremieux-lab / falcon
  Large-scale tandem mass spectrum clustering using fast nearest neighbor searching.
  ☆30Updated this week
• mwang87 / NP-Classifier
  ☆25Updated last month
• shuzhao-li-lab / PythonCentricPipelineForMetabolomics
  Python pipeline for metabolomics data preprocessing, QC, standardization and annotation
  ☆15Updated 2 weeks ago
• zhanghailiangcsu / MSBERT
  Improve the accuracy of database search by using BERT to embed MS/MS reasonably
  ☆18Updated 9 months ago
• dimenwarper / molxspec
  ML models to convert molecules to ESI mass spectra and maybe back again
  ☆9Updated 3 years ago
• murphy17 / graff-ms
  Efficiently predicting high resolution mass spectra with graph neural networks
  ☆27Updated 2 years ago
• lkytal / PredFull
  This work was published on Analytical Chemistry: Full-Spectrum Prediction of Peptides Tandem Mass Spectra using Deep Neural Network
  ☆31Updated 2 years ago
• sorenwacker / ms-peakonly
  Peak detection for untargeted metabolomics using Neural Network. High-level API based on peakonly by @Arseha.
  ☆17Updated last year
• mciach / masserstein
  Tools for analysis of Mass Spectrometry data using the Wasserstein metric
  ☆17Updated 8 months ago
• BojarLab / glycowork
  Package for processing and analyzing glycans and their role in biology.
  ☆71Updated last week
• madeleineernst / pyMolNetEnhancer
  ☆20Updated 2 years ago
• pnnl / deimos
  ☆35Updated 2 months ago
• YuanyueLi / MSEntropy
  Spectral entropy for mass spectrometry data.
  ☆29Updated 5 months ago
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆33Updated 6 years ago
• computational-metabolomics / beamspy
  BEAMSpy - Birmingham mEtabolite Annotation for Mass Spectrometry (Python Package)
  ☆18Updated 2 years ago
• samgoldman97 / mist
  Encoding MS/MS spectra using formula transformers for inferring molecular properties
  ☆63Updated last year
• griquelme / tidyms
  TidyMS: Tools for working with MS data in untargeted metabolomics
  ☆56Updated last year
• oolonek / ISDB
  A database of In-Silico predicted MS/MS spectrum of Natural Products
  ☆15Updated 2 years ago
• neilswainston / FragGenie
  ☆15Updated 4 years ago