Alternatives and similar repositories for mist

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

• coleygroup / ms-pred
  Predicting tandem mass spectra from molecules
  ☆103Updated 3 weeks ago
• pluskal-lab / MassSpecGym
  MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)
  ☆87Updated 3 months ago
• pnnl / darkchem
  ☆32Updated 7 months ago
• matchms / ms2deepscore
  Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
  ☆67Updated 2 weeks ago
• samgoldman97 / mist-cf
  Predicting MS1 precursor chemical formula from MS/MS data
  ☆20Updated last year
• meowcat / MSNovelist
  ☆68Updated 11 months ago
• merlin-ms / awesome-mass-spectral-libraries
  ☆20Updated last year
• KavrakiLab / Spec2Mol
  ☆24Updated 2 years ago
• murphy17 / graff-ms
  Efficiently predicting high resolution mass spectra with graph neural networks
  ☆28Updated 2 years ago
• Roestlab / massformer
  Tandem Mass Spectrum Prediction with Graph Transformers
  ☆92Updated 11 months ago
• JosieHong / 3DMolMS
  [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations
  ☆22Updated 2 months ago
• JamesJeffryes / pyclassyfire
  A python client for the ClassyFire API
  ☆16Updated 5 years 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…
  ☆35Updated this week
• XiminHu / mass-suite
  ☆27Updated last year
• mwang87 / NP-Classifier
  ☆25Updated last month
• Steinbeck-Lab / coconut
  COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…
  ☆32Updated 3 weeks ago
• pluskal-lab / DreaMS
  Self-supervised learning of molecular representations from millions of tandem mass spectra using DreaMS (Nat Biotechnology)
  ☆93Updated this week
• AlBi-HHU / myopic-mces
  ☆17Updated 3 months ago
• coleygroup / DiffMS
  ☆82Updated last month
• Novartis / MoaBox
  A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly
  ☆17Updated 5 years 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
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆71Updated last year
• recursionpharma / mole_public
  Recursion's molecular foundation model
  ☆57Updated 2 months ago
• hcji / PyFingerprint
  Python tool for generate fingerprints of a molecule
  ☆81Updated last month
• Novartis / pqsar2cpd
  pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.
  ☆30Updated 2 years ago
• woshixuhao / Retention-Time-Prediction-for-Chromatographic-Enantioseparation
  The dataset, code, and software for the paper 'Retention Time Prediction for Chromatographic Enantioseparation by Quantile Geometry-enhan…
  ☆17Updated 2 years ago
• Boehringer-Ingelheim / pyPept
  pyPept: a python library to generate atomistic 2D and 3D representations of peptides
  ☆73Updated 11 months ago
• JosieHong / awesome-smallmol-massspec-ml
  Awesome papers and codes list of small molecule mass spectrometry-related machine learning methods
  ☆31Updated last month
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆78Updated this week
• BTheDragonMaster / pikachu
  Python-based Informatics Kit for Analysing Chemical Units
  ☆71Updated last year