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
• hcji / DeepEI
  Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks
  ☆35Updated last year
• MarklandGroup / NMR2Struct
  NMR structure elucidation
  ☆11Updated last month
• savantas / MAGMa-plus
  allows MAGMa metabolite identification with dynamic parameter selection
  ☆9Updated 6 years ago
• TieuLongPhan / SynKit
  Toolkit for synthesis planning
  ☆16Updated this week
• HopkinsLaboratory / Graphormer-IR
  Graphormer-IR is an extension of the Graphormer framework, specifically to perform predictions of infrared spectra using only chemical st…
  ☆11Updated 2 months ago
• thejonaslab / rassp-public
  Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…
  ☆23Updated 2 years ago
• antwiser / OptADMET
  ☆10Updated last year
• gfm-collab / chemprop-IR
  ☆24Updated 4 years ago
• zhengfj1994 / PPGB_MS2
  ☆10Updated 7 months ago
• JosieHong / 3DMolMS
  [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations
  ☆22Updated 2 months ago
• TieuLongPhan / SynTemp
  Graph based Reaction Template Extraction
  ☆25Updated last month
• MRMkit / MRMkit
  ☆9Updated last month
• XiminHu / mass-suite
  ☆26Updated last year
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆22Updated last year
• KavrakiLab / Spec2Mol
  ☆24Updated 2 years ago
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆19Updated 3 months ago
• Qiong-Yang / GNN-RT
  ☆15Updated 3 years ago
• murphy17 / graff-ms
  Efficiently predicting high resolution mass spectra with graph neural networks
  ☆27Updated last year
• AlzbetaTuerkova / Drug-Repurposing-in-KNIME
  An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data
  ☆15Updated 4 years ago
• Degiacomi-Lab / JabberDock
  protein docking using a density-based descriptor for atoms charge and dynamics
  ☆14Updated 2 years ago
• FelixBaensch / MORTAR
  MOlecule fRagmenTAtion fRamework
  ☆22Updated last week
• samgoldman97 / mist-cf
  Predicting MS1 precursor chemical formula from MS/MS data
  ☆20Updated last year
• thatchemistryguy / PyParse
  Automated analysis of LCMS data for high throughput chemistry experiments
  ☆19Updated last month
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆33Updated 6 years ago
• moltools / CineMol
  Direct-to-SVG small molecule drawer.
  ☆27Updated 5 months ago
• elnurgar / mzxml-precursor-corrector
  ☆8Updated last year
• slryou41 / reaction-gcnn
  Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions
  ☆10Updated 4 years ago
• merlin-ms / awesome-mass-spectral-libraries
  ☆20Updated last year
• Muzatheking12 / MzDOCK
  MzDOCK - An Automated GUI based pipeline for Molecular Docking
  ☆18Updated 5 months ago