Alternatives and similar repositories for GNN-SOM:

Users that are interested in GNN-SOM are comparing it to the libraries listed below

• mwang87 / NP-Classifier
  ☆23Updated 7 months ago
• pnnl / darkchem
  ☆31Updated 4 months ago
• BAMeScience / fiora
  Meet FIORA! An in silico fragmentation algorithm designed to predict tandem mass spectra (MS/MS) with high accuracy. Using graph neural n…
  ☆31Updated this week
• lucinamay / biosynfoni
  a *biosynformatic* fingerprint to explore natural product distance and diversity
  ☆18Updated last week
• meowcat / MSNovelist
  ☆63Updated 8 months ago
• matchms / ms2deepscore
  Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
  ☆60Updated last month
• JamesJeffryes / pyclassyfire
  A python client for the ClassyFire API
  ☆16Updated 4 years ago
• merlin-ms / awesome-mass-spectral-libraries
  ☆18Updated 11 months ago
• biosustain / pyOpenMS_UmetaFlow
  Untargeted metabolomics workflow for data processing and analysis written in Jupyter notebooks (Python)
  ☆19Updated 5 months ago
• mobiusklein / brainpy
  A Python implementation of Baffling Recursive Algorithm for Isotopic distributioN calculations
  ☆21Updated 3 months ago
• mohimanilab / molDiscovery
  ☆15Updated 3 years ago
• hesther / enzymemap
  Python package to atom map, correct and suggest enzymatic reactions
  ☆37Updated last year
• shuzhao-li-lab / PythonCentricPipelineForMetabolomics
  Python pipeline for metabolomics data preprocessing, QC, standardization and annotation
  ☆14Updated 4 months ago
• Novartis / pqsar2cpd
  pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.
  ☆30Updated last year
• JosieHong / 3DMolMS
  [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations
  ☆21Updated last month
• christinadebruynkops / GLORYx
  Prediction of metabolites formed by phase I and phase II xenobiotic metabolism.
  ☆13Updated 2 years ago
• rochoa85 / PepFun
  Bioinformatics and Cheminformatics protocols for peptide analysis
  ☆41Updated 2 years ago
• iomega / ms2query
  MS2Query - machine learning assisted library querying of MS/MS spectra
  ☆43Updated 7 months ago
• samgoldman97 / mist
  Encoding MS/MS spectra using formula transformers for inferring molecular properties
  ☆55Updated 10 months ago
• pluskal-lab / DreaMS
  DreaMS (Deep Representations Empowering the Annotation of Mass Spectra)
  ☆29Updated last month
• XiminHu / mass-suite
  ☆25Updated last year
• Merck / PepSeA
  ☆24Updated 3 years ago
• AlBi-HHU / myopic-mces
  ☆16Updated 2 months ago
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆75Updated 2 months ago
• eMetaboHUB / FragHub
  ☆11Updated last week
• zhanghailiangcsu / MSBERT
  Improve the accuracy of database search by using BERT to embed MS/MS reasonably
  ☆16Updated 6 months ago
• Philipbear / msbuddy
  a python package for molecular formula analysis in MS-based small molecule studies
  ☆27Updated 2 months ago
• Boehringer-Ingelheim / pyPept
  pyPept: a python library to generate atomistic 2D and 3D representations of peptides
  ☆68Updated 8 months ago
• dkoes / show_contacts
  PyMOL Plugin for displaying polar contacts
  ☆17Updated 6 years ago
• GIST-CSBL / HoTS
  HoTS: Sequence-based prediction of binding regions and drug-target interactions.
  ☆26Updated 2 years ago