Alternatives and similar repositories for PyCFMID

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

• Elizachem / SMRT_transfer
  ☆11Updated 3 years ago
• hcji / DeepEI
  Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks
  ☆36Updated last year
• MarklandGroup / NMR2Struct
  NMR structure elucidation
  ☆14Updated 4 months ago
• antwiser / OptADMET
  ☆10Updated 2 years ago
• JosieHong / 3DMolMS
  [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations
  ☆23Updated 2 weeks ago
• XiminHu / mass-suite
  ☆28Updated last year
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆38Updated last month
• KavrakiLab / Spec2Mol
  ☆26Updated 2 years ago
• murphy17 / graff-ms
  Efficiently predicting high resolution mass spectra with graph neural networks
  ☆30Updated 2 years ago
• WJmodels / CMGNet
  ☆12Updated 3 years ago
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆22Updated 2 years ago
• zhengfj1994 / PPGB_MS2
  ☆11Updated 11 months ago
• thejonaslab / rassp-public
  Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…
  ☆24Updated 2 years ago
• pnnl / darkchem
  ☆33Updated 10 months ago
• akensert / GCN-retention-time-predictions
  Implementation of graph convolutional networks to predict chromatographic retention times.
  ☆15Updated 4 years ago
• gfm-collab / chemprop-IR
  ☆27Updated 4 years ago
• FelixBaensch / MORTAR
  MOlecule fRagmenTAtion fRamework
  ☆27Updated last week
• samgoldman97 / mist-cf
  Predicting MS1 precursor chemical formula from MS/MS data
  ☆22Updated 2 years ago
• TieuLongPhan / SynKit
  Toolkit for synthesis planning
  ☆24Updated last week
• Qiong-Yang / GNN-RT
  ☆15Updated 3 years ago
• merlin-ms / awesome-mass-spectral-libraries
  ☆22Updated last month
• pnnl / MSAC
  ☆23Updated 7 months ago
• moltools / CineMol
  Direct-to-SVG small molecule drawer.
  ☆27Updated 8 months ago
• AlBi-HHU / myopic-mces
  ☆17Updated last week
• domdfcoding / pynist
  PyMassSpec extension for searching mass spectra using NIST's Mass Spectrum Search Engine.
  ☆22Updated 3 weeks ago
• HopkinsLaboratory / Graphormer-IR
  Graphormer-IR is an extension of the Graphormer framework, specifically to perform predictions of infrared spectra using only chemical st…
  ☆12Updated 5 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…
  ☆40Updated last week
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆23Updated last month
• TieuLongPhan / SynTemp
  Graph based Reaction Template Extraction
  ☆34Updated 3 months ago