wincowgerDEV / OpenSpecy-packageLinks
Analyze, Process, Identify, and Share, Raman and (FT)IR Spectra
☆31Updated 2 weeks ago
Alternatives and similar repositories for OpenSpecy-package
Users that are interested in OpenSpecy-package are comparing it to the libraries listed below
Sorting:
- R functions for the chemometric analysis of spectra☆61Updated 2 weeks ago
- Integrating R and the CDK☆44Updated last year
- R-based access to Mass-Spectrometry data☆24Updated last week
- Streamlining data processing and modeling for spectroscopy applications☆33Updated last year
- Shortcode to embed proteins and trajectories with Mol*☆50Updated last year
- Chemical Information from the Web☆171Updated last week
- R package accompanying the second edition of "Chemometrics with R", Springer☆15Updated 5 years ago
- Various Cheminformatic, Curation and Mass Spectrometry Functions☆14Updated 4 years ago
- A backend web service provides NMR/IR/MS processing for jcamp/RAW/mzML files.☆14Updated last week
- Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)☆39Updated 2 weeks ago
- functions for chromatography and mass spectrometry data analysis☆72Updated 2 years ago
- US EPA's Toxicity Forecaster (ToxCast) Pipeline. More information on the ToxCast program available here: https://www.epa.gov/comptox-tool…☆40Updated 3 weeks ago
- Toolset for the reproducible analysis of chromatography data in R (HPLC-DAD/UV, GC-FID).☆20Updated 3 weeks ago
- R Interface to the ClassyFire REST API☆11Updated 7 months ago
- Cheminformatics Toolkit for R☆16Updated 2 weeks ago
- The R for Mass Spectrometry meta-package☆17Updated last year
- Compile Mass Spectral Libraries from Various Sources☆17Updated last year
- PK-Sim® is a comprehensive software tool for whole-body physiologically based pharmacokinetic modeling☆128Updated this week
- R package for Multivariate Data Analysis☆38Updated last year
- US EPA's Toxicity Reference Database (ToxRefDB)☆24Updated last month
- Organic/biological mass spectrometry data analysis (development version).☆30Updated 8 years ago
- ☆23Updated 2 months ago
- An editor to View and Edit Chemical Spectra data (NMR, IR and MS).☆13Updated this week
- The Database Infrastructure for Mass Spectrometry (DIMSpec) project☆26Updated 2 months ago
- MS2Tox is a machine learning tool for predicting ecotoxicity of unidentified chemicals in water by nontarget LC/HRMS☆16Updated 2 weeks ago
- Create .mzML files through the R Console☆11Updated 3 weeks ago
- Low level infrastructure to handle MS spectra☆41Updated 3 weeks ago
- ☆29Updated 4 months ago
- This is the git repository matching the Bioconductor package CAMERA: Collection of annotation related methods for mass spectrometry data☆13Updated 4 months ago
- Open Raman Processing Library☆44Updated last week