Alternatives and similar repositories for cdkr:

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

• girke-lab / ChemmineR
  Cheminformatics Toolkit for R
  ☆14Updated 4 months ago
• nanxstats / Rcpi
  💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery
  ☆37Updated 5 months ago
• schymane / RChemMass
  Various Cheminformatic, Curation and Mass Spectrometry Functions
  ☆13Updated 4 years ago
• aberHRML / classyfireR
  R Interface to the ClassyFire REST API
  ☆10Updated 2 years ago
• jmbuhr / quarto-molstar
  Shortcode to embed proteins and trajectories with Mol*
  ☆44Updated 9 months ago
• pauca / RRDKit
  A pragmatic interface to RDKit in R
  ☆25Updated 5 years ago
• wkumler / RaMS
  R-based access to Mass-Spectrometry data
  ☆24Updated 2 months ago
• USEPA / CompTox-ToxCast-tcpl
  US EPA's Toxicity Forecaster (ToxCast) Pipeline. More information on the ToxCast program available here: https://www.epa.gov/comptox-tool…
  ☆33Updated last week
• QizhiSu / mspcompiler
  Compile Mass Spectral Libraries from Various Sources
  ☆16Updated 9 months ago
• dphansti / CORAL
  ☆28Updated 2 years ago
• USEPA / CompTox-ToxRefDB
  US EPA's Toxicity Reference Database (ToxRefDB)
  ☆21Updated last year
• Grantlab / bio3d
  A mirror of official bio3d development site at Bitbucket: https://bitbucket.org/Grantlab/bio3d. See also bio3d website: http://thegrantl…
  ☆21Updated last year
• ODonnell-Lipidomics / LipidFinder
  LipidFinder: A computational workflow for discovery of new lipid molecular species
  ☆19Updated 4 years ago
• cambDI / camb
  ☆14Updated 7 years ago
• jorainer / SpectraTutorials
  These workshops and tutorials provide use cases and examples for mass spectrometry data handling and analysis using the Spectra Bioconduc…
  ☆19Updated 6 months ago
• ethanbass / chromConverter
  Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)
  ☆33Updated last month
• pattilab / DecoID
  Metabolomics software for database-assisted deconvolution of MS/MS spectra
  ☆18Updated last year
• rickhelmus / patRoon
  Workflow solutions for mass-spectrometry based non-target analysis.
  ☆65Updated this week
• MassBank / RMassBank
  Playground for experiments on the official http://bioconductor.org/packages/devel/bioc/html/RMassBank.html
  ☆12Updated 4 months ago
• swsoyee / r3dmol
  🧬 An R package for visualizing molecular data in 3D
  ☆90Updated last year
• girke-lab / ChemmineOB
  OpenBabel wrapper package for R
  ☆10Updated 6 months ago
• ceabiodb / biodb
  An R package framework for accessing biological and chemical databases and developing or extending new connectors.
  ☆11Updated 2 years ago
• sneumann / CAMERA
  This is the git repository matching the Bioconductor package CAMERA: Collection of annotation related methods for mass spectrometry data
  ☆11Updated 10 months ago
• idslme / IDSL.IPA
  Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidom…
  ☆13Updated last year
• ipb-halle / MetFragR
  R package for MetFrag
  ☆24Updated 7 years ago
• rwehrens / ChemometricsWithR
  R package accompanying the second edition of "Chemometrics with R", Springer
  ☆14Updated 4 years ago
• SKscience / Anabel
  An Online Tool for the Real-Time Kinetic Analysis of Binding Events
  ☆13Updated 6 months ago
• lifs-tools / lipidcreator
  LipidCreator is a powerful stand alone kick-off tool for targeted lipidomics and a plugin for Skyline. It provides convenient tools to ge…
  ☆11Updated last year
• zmahnoor14 / MAW
  Metabolome Annotation Workflow
  ☆25Updated 11 months ago
• jrash / chemmodlab
  chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models
  ☆15Updated last year