Alternatives and similar repositories for cdkr

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

• schymane / RChemMass
  Various Cheminformatic, Curation and Mass Spectrometry Functions
  ☆14Updated 4 years ago
• girke-lab / ChemmineR
  Cheminformatics Toolkit for R
  ☆16Updated 2 weeks ago
• nanxstats / Rcpi
  💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery
  ☆37Updated 8 months ago
• pauca / RRDKit
  A pragmatic interface to RDKit in R
  ☆25Updated 5 years ago
• QizhiSu / mspcompiler
  Compile Mass Spectral Libraries from Various Sources
  ☆17Updated last year
• ceabiodb / biodb
  An R package framework for accessing biological and chemical databases and developing or extending new connectors.
  ☆11Updated 2 years ago
• aberHRML / classyfireR
  R Interface to the ClassyFire REST API
  ☆11Updated 3 months ago
• jmbuhr / quarto-molstar
  Shortcode to embed proteins and trajectories with Mol*
  ☆47Updated last year
• cambDI / camb
  ☆13Updated 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…
  ☆21Updated 9 months ago
• RunshengSong / QSAR_SSD_Toolbox
  An Neural Networks based QSAR Model and a Connector to SSD
  ☆9Updated 7 years ago
• wkumler / RaMS
  R-based access to Mass-Spectrometry data
  ☆24Updated 5 months ago
• idslme / IDSL.IPA
  Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidom…
  ☆13Updated 2 years ago
• rformassspectrometry / SpectriPy
  Interfacing R's Spectra package with the Python world.
  ☆12Updated last week
• MassBank / RMassBank
  Playground for experiments on the official http://bioconductor.org/packages/devel/bioc/html/RMassBank.html
  ☆13Updated 7 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…
  ☆36Updated 3 weeks ago
• rickhelmus / patRoon
  Workflow solutions for mass-spectrometry based non-target analysis.
  ☆65Updated this week
• OrgMassSpec / OrgMassSpecR
  Organic/biological mass spectrometry data analysis (development version).
  ☆30Updated 7 years ago
• pattilab / DecoID
  Metabolomics software for database-assisted deconvolution of MS/MS spectra
  ☆18Updated last year
• girke-lab / ChemmineOB
  OpenBabel wrapper package for R
  ☆11Updated last week
• USEPA / CompTox-ToxRefDB
  US EPA's Toxicity Reference Database (ToxRefDB)
  ☆21Updated 2 years ago
• nanxstats / protr
  🧬 Toolkit for generating various numerical features of protein sequences
  ☆52Updated 8 months ago
• zmahnoor14 / MAW
  Metabolome Annotation Workflow
  ☆25Updated last year
• mjhelf / Metaboseek
  Interactive software to analyze and browse mass spectrometry data
  ☆21Updated last year
• sneumann / CAMERA
  This is the git repository matching the Bioconductor package CAMERA: Collection of annotation related methods for mass spectrometry data
  ☆11Updated 3 weeks ago
• ethanbass / chromConverter
  Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)
  ☆35Updated last month
• swsoyee / r3dmol
  🧬 An R package for visualizing molecular data in 3D
  ☆90Updated last year
• kruvelab / MS2Tox
  MS2Tox is a machine learning tool for predicting ecotoxicity of unidentified chemicals in water by nontarget LC/HRMS
  ☆16Updated 6 months ago
• oloBion / Retip
  Retip - Retention Time prediction for metabolomics
  ☆33Updated last year
• yguitton / metaMS
  data processing for MS-based metabolomics
  ☆15Updated 6 months ago