Alternatives and similar repositories for chromatography:

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

• Tarskin / HappyTools
  A tool for the (high-throughput) processing of HPLC data.
  ☆36Updated last year
• kmansouri / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆97Updated 6 months ago
• Bayer-Group / MOCCA
  ☆23Updated 3 months ago
• nmrML / nmrML
  nmrML is an open mark-up language for NMR data. This is the official repository for development of the nmrML schema and NMR ontology.
  ☆30Updated 2 weeks ago
• michaelmarty / AnalChem
  Python notebooks for teaching analytical chemistry
  ☆13Updated 4 years ago
• ethanbass / chromConverter
  Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)
  ☆35Updated 2 weeks ago
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆125Updated this week
• MatteoLacki / IsoSpec
  Libraries for fine isotopic structure calculator.
  ☆40Updated 2 months ago
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆60Updated last month
• mcs07 / ChemSpiPy
  Python wrapper for the ChemSpider API
  ☆115Updated 6 years ago
• bryanhanson / ChemoSpec
  R functions for the chemometric analysis of spectra
  ☆60Updated last year
• Biospec / cluster-toolbox-v2.0
  Chemometrics Toolbox for MATLAB
  ☆12Updated 3 weeks ago
• chembl / chembl_beaker
  RDKit wrapper
  ☆49Updated last year
• sebotic / cdk_pywrapper
  A Python wrapper for the Chemistry Development Kit (CDK)
  ☆32Updated 5 years ago
• larsyunker / PythoMS
  A series of python scripts which aid in the processing and interpretation of mass spectrometric data (formerly Mass-Spec-Python-Tools)
  ☆36Updated 4 years ago
• bovee / Aston
  View and interpret UV-visible and mass spectrometry chromatographic data.
  ☆21Updated 3 years ago
• TheBiomics / GMXvg
  Plotting graphs from XVGs generated by GROMACS in Python
  ☆22Updated 10 months ago
• HaasCP / mocca
  Deprecated open-source Python project to analyze HPLC–DAD raw data.
  ☆41Updated 7 months ago
• cgohlke / molmass
  Molecular mass calculations.
  ☆61Updated 5 months ago
• makson96 / Dynamics
  Dynamics PyMOL Plugin
  ☆42Updated 11 months ago
• MooersLab / pymolshortcuts
  The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…
  ☆75Updated 11 months ago
• hcji / DeepEI
  Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks
  ☆36Updated last year
• choderalab / ensembler
  Automated omics-scale protein modeling and simulation setup.
  ☆52Updated 3 years ago
• HITS-MBM / gromacs-fda
  Force Distribution Analysis (FDA) for GROMACS
  ☆32Updated 9 months ago
• qcxms / QCxMS
  Quantum mechanic mass spectrometry calculation program
  ☆46Updated 4 months ago
• OpenChrom / openchrom
  Visualization and Analysis of mass spectrometric and chromatographic data.
  ☆91Updated this week
• polysimtools / pysimm
  python simulation interface for molecular modeling
  ☆87Updated 2 years ago
• spectrochempy / spectrochempy
  SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
  ☆141Updated last week
• Ohio-State-Allen-Lab / FTIRMachineLearning
  ☆36Updated 3 years ago
• Electrostatics / apbs-pdb2pqr
  APBS - software for biomolecular electrostatics and solvation
  ☆128Updated 4 years ago