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
• MarklandGroup / NMR2Struct
  NMR structure elucidation
  ☆14Updated 2 months ago
• hcji / DeepEI
  Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks
  ☆35Updated last year
• cadd-synthetic / GASA
  Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
  ☆22Updated last year
• HopkinsLaboratory / Graphormer-IR
  Graphormer-IR is an extension of the Graphormer framework, specifically to perform predictions of infrared spectra using only chemical st…
  ☆11Updated 3 months ago
• TieuLongPhan / SynKit
  Toolkit for synthesis planning
  ☆18Updated this week
• gfm-collab / chemprop-IR
  ☆25Updated 4 years ago
• antwiser / OptADMET
  ☆10Updated last year
• KavrakiLab / Spec2Mol
  ☆26Updated 2 years ago
• WJmodels / CMGNet
  ☆12Updated 3 years 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
• XiminHu / mass-suite
  ☆27Updated last year
• TieuLongPhan / SynTemp
  Graph based Reaction Template Extraction
  ☆29Updated last month
• Muzatheking12 / MzDOCK
  MzDOCK - An Automated GUI based pipeline for Molecular Docking
  ☆18Updated last month
• JosieHong / 3DMolMS
  [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations
  ☆22Updated 3 months ago
• akensert / GCN-retention-time-predictions
  Implementation of graph convolutional networks to predict chromatographic retention times.
  ☆15Updated 3 years ago
• samgoldman97 / mist-cf
  Predicting MS1 precursor chemical formula from MS/MS data
  ☆23Updated last year
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆33Updated this week
• SeonghwanSeo / DeepDL
  Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)
  ☆20Updated 4 months ago
• 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
• moltools / CineMol
  Direct-to-SVG small molecule drawer.
  ☆27Updated 6 months ago
• pnnl / darkchem
  ☆32Updated 8 months ago
• duaibeom-zz / MolFinder
  ☆17Updated 4 years ago
• thatchemistryguy / PyParse
  Automated analysis of LCMS data for high throughput chemistry experiments
  ☆21Updated last week
• murphy17 / graff-ms
  Efficiently predicting high resolution mass spectra with graph neural networks
  ☆28Updated 2 years ago
• zguo235 / bayesian_retro
  A bayesian retrosynthesis algorithm
  ☆13Updated 4 years ago
• merlin-ms / awesome-mass-spectral-libraries
  ☆20Updated last year
• kotori-y / pySmash
  Smash molecule and obtain significant fragments
  ☆18Updated 4 years ago
• AlBi-HHU / myopic-mces
  ☆17Updated last week
• zqfang / drugai
  Graph Neural Networks for Drug Efficacy Prediction
  ☆11Updated 2 years ago