Alternatives and similar repositories for MSNovelist:

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

• matchms / ms2deepscore
  Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
  ☆59Updated last week
• samgoldman97 / mist
  Encoding MS/MS spectra using formula transformers for inferring molecular properties
  ☆51Updated 8 months ago
• JamesJeffryes / pyclassyfire
  A python client for the ClassyFire API
  ☆16Updated 4 years ago
• pnnl / darkchem
  ☆32Updated 2 months ago
• KavrakiLab / Spec2Mol
  ☆22Updated last year
• HuanLab / BUDDY
  Bottom-up MS/MS interrogation & Experiment-specific global annotation
  ☆28Updated 2 months ago
• sirius-ms / sirius
  SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository…
  ☆98Updated last month
• Philipbear / msbuddy
  a python package for molecular formula analysis in MS-based small molecule studies
  ☆24Updated this week
• samgoldman97 / ms-pred
  Predicting tandem mass spectra from molecules
  ☆85Updated last year
• michaelwitting / RepoRT
  This repository contains training data for retention time prediction for the identification of metabolites from non-targeted LC-MS based …
  ☆41Updated 2 months ago
• volvox292 / mass2smiles
  deep learning based prediction of structures and functional groups from MS/MS spectra
  ☆10Updated 3 weeks ago
• pluskal-lab / MassSpecGym
  MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)
  ☆49Updated this week
• zmahnoor14 / MAW
  Metabolome Annotation Workflow
  ☆25Updated 11 months ago
• hcji / DeepEI
  Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks
  ☆36Updated 11 months ago
• pnnl / deimos
  ☆33Updated 2 months ago
• 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
• murphy17 / graff-ms
  Efficiently predicting high resolution mass spectra with graph neural networks
  ☆26Updated last year
• JosieHong / 3DMolMS
  [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations
  ☆21Updated 2 months ago
• mwang87 / NP-Classifier
  ☆19Updated 4 months ago
• XiminHu / mass-suite
  ☆23Updated last year
• iomega / ms2query
  MS2Query - machine learning assisted library querying of MS/MS spectra
  ☆44Updated 5 months ago
• Rappsilber-Laboratory / AlphaLink2
  AlphaLink2: Integrating crosslinking MS data into Uni-Fold-Multimer
  ☆53Updated 3 weeks ago
• Boehringer-Ingelheim / pyPept
  pyPept: a python library to generate atomistic 2D and 3D representations of peptides
  ☆68Updated 5 months ago
• merlin-ms / awesome-mass-spectral-libraries
  ☆17Updated 9 months ago
• christinadebruynkops / GLORYx
  Prediction of metabolites formed by phase I and phase II xenobiotic metabolism.
  ☆13Updated 2 years ago
• mobiusklein / ms_peak_picker
  A small library to provide peak picking for software processing mass spectrometry data
  ☆21Updated 2 months ago
• kalininalab / GlyLES
  A tool to convert IUPAC representations of glycans into SMILES strings.
  ☆12Updated this week
• tubiana / protocolGromacs
  Automatic gromacs protocol from preparation to production with ligand parametrization through
  ☆59Updated 4 months ago
• pnnl / MSAC
  ☆22Updated last year