Alternatives and similar repositories for ChemmineOB:

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

• yguitton / metaMS
  data processing for MS-based metabolomics
  ☆15Updated 5 months ago
• zachcp / chemdoodle
  htmlwidgets for chemdoodle web components
  ☆18Updated 4 years ago
• girke-lab / ChemmineR
  Cheminformatics Toolkit for R
  ☆15Updated 2 weeks ago
• rwehrens / ChemometricsWithR
  R package accompanying the second edition of "Chemometrics with R", Springer
  ☆14Updated 4 years ago
• schymane / RChemMass
  Various Cheminformatic, Curation and Mass Spectrometry Functions
  ☆13Updated 4 years ago
• ethanbass / chromatographR
  Toolset for the reproducible analysis of chromatography data in R (HPLC-DAD/UV, GC-FID).
  ☆18Updated last month
• jorainer / SpectraTutorials
  These workshops and tutorials provide use cases and examples for mass spectrometry data handling and analysis using the Spectra Bioconduc…
  ☆20Updated 8 months ago
• cambDI / camb
  ☆13Updated 7 years ago
• nanxstats / Rcpi
  💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery
  ☆37Updated 7 months ago
• carlganz / zintr
  Print barcodes in R
  ☆10Updated 4 years ago
• USEPA / CompTox-ExpoCast-httk
  The R package "httk" provides free, open-source data and models for toxicokinetics. The models are designed to use chemical-specific in v…
  ☆27Updated this week
• aberHRML / classyfireR
  R Interface to the ClassyFire REST API
  ☆10Updated 2 months ago
• CDK-R / cdkr
  Integrating R and the CDK
  ☆43Updated last year
• pauca / RRDKit
  A pragmatic interface to RDKit in R
  ☆25Updated 5 years ago
• dgrapov / CTSgetR
  R interface to Chemical Translation Service (CTS)
  ☆14Updated 8 months ago
• InsightRX / PKPDsim
  Simulate PK-PD models defined as ODE systems
  ☆37Updated this week
• rformassspectrometry / RforMassSpectrometry
  The R for Mass Spectrometry meta-package
  ☆17Updated last year
• john-harrold / ubiquity
  R package for using ubiquity
  ☆13Updated last month
• USEPA / CompTox-ToxRefDB
  US EPA's Toxicity Reference Database (ToxRefDB)
  ☆21Updated 2 years ago
• tylermorganwall / raymolecule
  Parse and Render 3D Molecular Structures in R
  ☆40Updated last year
• Merck / pkglite
  Compact Package Representations
  ☆29Updated 5 months ago
• ropensci / plater
  Tools to make it easy to work with microtiter plate-shaped data
  ☆23Updated 5 months ago
• khliland / pls
  The pls R package
  ☆37Updated 3 months ago
• chasemc / IDBacApp
  A MALDI Mass Spectrometry Bioinformatics Platform
  ☆30Updated 4 months ago
• yufree / enviGCMS
  GC/LC-MS data analysis for environmental science
  ☆17Updated last month
• andschar / standartox
  Standardising toxicity data
  ☆14Updated 2 years ago
• BZdrazil / Moving_Targets
  Repository for storing code related to the paper by Zdrazil B., Richter L., Brown N., and Guha R. "Moving Targets: Monitoring Target Tren…
  ☆9Updated 4 years ago
• kruvelab / MS2Tox
  MS2Tox is a machine learning tool for predicting ecotoxicity of unidentified chemicals in water by nontarget LC/HRMS
  ☆16Updated 4 months ago
• QizhiSu / mspcompiler
  Compile Mass Spectral Libraries from Various Sources
  ☆17Updated 11 months ago
• libscie / retractcheck
  Check DOIs in a paper for retractions.
  ☆22Updated 4 years ago