Alternatives and similar repositories for PyCFMID

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

• Elizachem / SMRT_transfer
  ☆10Updated 3 years ago
• savantas / MAGMa-plus
  allows MAGMa metabolite identification with dynamic parameter selection
  ☆9Updated 6 years ago
• hcji / DeepEI
  Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks
  ☆36Updated last year
• MarklandGroup / NMR2Struct
  NMR structure elucidation
  ☆11Updated last week
• KavrakiLab / Spec2Mol
  ☆23Updated 2 years ago
• antwiser / OptADMET
  ☆10Updated last year
• zhengfj1994 / PPGB_MS2
  ☆10Updated 6 months ago
• gfm-collab / chemprop-IR
  ☆22Updated 4 years ago
• thejonaslab / rassp-public
  Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…
  ☆22Updated 2 years ago
• TieuLongPhan / SynTemp
  Graph based Reaction Template Extraction
  ☆24Updated 3 weeks 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 last year
• JamesJeffryes / pyclassyfire
  A python client for the ClassyFire API
  ☆16Updated 5 years ago
• kotori-y / pySmash
  Smash molecule and obtain significant fragments
  ☆18Updated 4 years ago
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆21Updated last year
• XiminHu / mass-suite
  ☆26Updated last year
• FelixBaensch / MORTAR
  MOlecule fRagmenTAtion fRamework
  ☆21Updated last week
• TieuLongPhan / SynKit
  Toolkit for synthesis planning
  ☆16Updated 3 weeks ago
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆33Updated 6 years ago
• AlBi-HHU / myopic-mces
  ☆17Updated 2 months ago
• JosieHong / 3DMolMS
  [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations
  ☆22Updated last month
• Muzatheking12 / MzDOCK
  MzDOCK - An Automated GUI based pipeline for Molecular Docking
  ☆18Updated 4 months ago
• elnurgar / mzxml-precursor-corrector
  ☆8Updated last year
• 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
• pnnl / darkchem
  ☆32Updated 6 months ago
• samgoldman97 / mist-cf
  Predicting MS1 precursor chemical formula from MS/MS data
  ☆19Updated last year
• QVina / QVina.github.io
  The code for the QuickVina homepage.
  ☆34Updated 2 years ago
• wenhao-gao / askcos_synthesizability
  ☆28Updated 2 years ago
• murphy17 / graff-ms
  Efficiently predicting high resolution mass spectra with graph neural networks
  ☆27Updated last year
• Qiong-Yang / GNN-RT
  ☆15Updated 3 years ago
• Ananikov-Lab / medusa
  The code for the article "Fully Automated Unconstrained Analysis of High-Resolution Mass Spectrometry Data with Machine Learning"
  ☆27Updated 5 months ago