Alternatives and similar repositories for graff-ms

Users that are interested in graff-ms are comparing it to the libraries listed below

• JosieHong / awesome-smallmol-massspec-ml
  Awesome papers and codes list of small molecule mass spectrometry-related machine learning methods
  ☆34Updated last month
• pluskal-lab / MassSpecGym
  MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)
  ☆94Updated this week
• samgoldman97 / mist
  Encoding MS/MS spectra using formula transformers for inferring molecular properties
  ☆67Updated last year
• JosieHong / 3DMolMS
  [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations
  ☆23Updated 2 weeks ago
• Roestlab / massformer
  Tandem Mass Spectrum Prediction with Graph Transformers
  ☆93Updated last year
• coleygroup / ms-pred
  Predicting tandem mass spectra from molecules
  ☆113Updated this week
• idslme / IDSL_MINT
  A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data
  ☆25Updated last year
• zhanghailiangcsu / MSBERT
  Improve the accuracy of database search by using BERT to embed MS/MS reasonably
  ☆18Updated last year
• KavrakiLab / Spec2Mol
  ☆26Updated 2 years ago
• michaelwitting / RepoRT
  This repository contains training data for retention time prediction for the identification of metabolites from non-targeted LC-MS based …
  ☆55Updated 2 weeks ago
• matchms / ms2deepscore
  Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
  ☆71Updated 2 months ago
• meowcat / MSNovelist
  ☆71Updated last year
• samgoldman97 / mist-cf
  Predicting MS1 precursor chemical formula from MS/MS data
  ☆22Updated 2 years ago
• ratthachat / awesome-biochem-ai
  Curated list on Deep Transformers Applications on Biology and Chemistry
  ☆18Updated 2 years ago
• pnnl / darkchem
  ☆33Updated 10 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…
  ☆40Updated last week
• hcji / DeepEI
  Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks
  ☆36Updated last year
• merlin-ms / awesome-mass-spectral-libraries
  ☆22Updated last month
• JamesJeffryes / pyclassyfire
  A python client for the ClassyFire API
  ☆16Updated 5 years ago
• rochoa85 / PepFun
  Bioinformatics and Cheminformatics protocols for peptide analysis
  ☆43Updated 2 years ago
• swansonk14 / chemfunc
  Useful functions for working with small molecules
  ☆54Updated last month
• NasimAbdollahi / NodeCoder
  NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.
  ☆33Updated last year
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆38Updated last month
• recursionpharma / mole_public
  Recursion's molecular foundation model
  ☆62Updated 4 months ago
• Actelion / openchemlib-hyperspace
  substructure search in large combinatorial spaces using openchemlib
  ☆22Updated 2 months ago
• Steinbeck-Lab / coconut
  COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…
  ☆39Updated this week
• GGchen1997 / STEPS_Bioinformatics
  ☆16Updated 2 years ago
• lhm30 / PIDGINv3
  Protein target prediction using random forests and reliability-density neighbourhood analysis
  ☆41Updated 5 years ago
• pluskal-lab / DreaMS
  Self-supervised learning of molecular representations from millions of tandem mass spectra using DreaMS (Nat Biotechnology)
  ☆113Updated last week
• rxn4chemistry / rxnaamapper
  Reaction SMILES-AA mapping via language modelling
  ☆29Updated last year