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awesome-spectra Awesome


🌈 A collaborative list of awesome software for spectroscopy. Feel free to contribute


Other ways to find spectroscopy software:

  • Explore GitHub #spectroscopy packages tagged with "spectroscopy".
  • FOSS for Spectroscopy overlaps with this list in part, but presents the options in a slightly different format.

Astrophysics & Astronomy Spectra

Generate or analyse astrophysics / astronomy spectra

  • ChiantiPy GitHub stars : python package to calculate the radiative properties of astrophysical plasmas based on the CHIANTI atomic database

  • HELIOS GitHub stars : GPU-Accelerated Radiative Transfer Code For Exoplanetary Atmospheres

  • pyhdust GitHub stars : spectroscopic module of the pyhdust package for multi-technique astronomical data

  • pyspeckit GitHub stars : a python spectroscopic toolkit for a wide variety of astronomical instruments.

  • specutil GitHub stars : : a Python package for spectral analysis in astronomy

  • radiospectra GitHub stars : radio spectra on solar physics from the sunpy package

  • SpectroscoPyx GitHub stars : spectroscopy package of the PlasmaPy project

Atmospheric Spectra

Atmosphere spectra, with line of sight

  • Py4CAtS (software) : Python code for Computational ATmospheric Spectroscopy (HITRAN, Geisa)

  • BART GitHub stars : Bayesian Atmospheric Radiative Transfer fitting code

  • GARLIC (software) : Fortran line by line code

  • MODTRAN (software) : software for MODerate resolution atmospheric TRANsmission

  • lowtran GitHub stars : LOWTRAN atmospheric absorption extinction, scatter and irradiance model--in Python and Matlab

  • LBLRTM (software) : Line-by-line calculations of atmospheric fluxes and cooling rates

  • libRadtran (software) : C / Fortran functions and programs for calculation of solar and thermal radiation in the Earth's atmosphere

  • PyLBLRTM GitHub stars : Helper functions in reading/writing LBLRTM input/output files.

General purpose

General spectral processing or analysis packages

  • pyspectra GitHub stars : Python package for working with (hyper)spectral data

  • rampy GitHub stars : a Python package for spectral data processing (IR, Raman, XAS...)

  • scikit-spectra GitHub stars : Python pandas-based toolkit for explorative spectroscopy (IR, IV-vis, ...).

  • Spectragryph (software) : optical spectroscopy software for UV-VIS, NIR, FTIR, Raman, fluorescence, LIBS, XRF data.

  • SpectroChemPy GitHub stars : Processing, analysing and modelling spectroscopic data (IR, NMR, UV-vis, ...).


Import/export of spectral data

  • Bruker OPUS Reader GitHub stars : Reading the binary OPUS files generated by Bruker spectrometers.

  • specio GitHub stars : Interface to read hypersectral data

  • lightr GitHub stars : Import UV/VIS spectral data and related metadata in R

Infrared Spectroscopy

Generate or analyse infrared spectra for combustion / plasma physics applications #infrared

  • HAPI GitHub stars : HITRAN Application Programming Interface

  • HELIOS-K GitHub stars : Ultrafast opacity calculator for exoplanetary atmospheres.

  • RADIS GitHub stars : a fast line-by-line code for high-resolution infrared molecular spectra

  • SpectraPlot (website) : online interface to HITRAN / HITEMP / NIST data

  • HITRAN on the web (website) : online interface to HITRAN data

  • RadISpeC GitHub stars : Radiation Interface for Matlab Spectroscopy Calculations. Uses HITRAN and HITEMP

MDS Spectroscopy

  • WrightTools (software) : a Python package for multidimensional spectroscopy

UV / Visible Spectroscopy

*Generate or analyse UV/VIS spectra (electronic states of atoms / molecules)

  • SPECAIR (software) : software for calculation and fitting of UV/VIS plasma emission

  • SPARTAN (software) : software for line-by-line radiative calculation of high-temperature, low pressure plasmas

  • pavo GitHub stars : Perceptual Analysis, Visualization and Organization of Spectral Colour Data in R

Spectral inference

and fitting

  • Starfish GitHub stars : Tools for Flexible Spectroscopic Inference


general spectral analysis packages

  • fityk GitHub stars : curve fitting (peak fitting) software


Databases for atomic and molecular spectroscopy

  • Chianti: atomic line database
  • NIST: atomic line database
  • EXOMOL: Molecular Line Lists for Exoplanet and Other Atmospheres
  • GEISA: atmospheric spectroscopic database
  • HITRAN: high-resolution transmission molecular absorption databases for gases of the atmosphere (infrared)
  • HITEMP: high temperature molecular spectroscopic database (infrared)
  • GASPAR: high-temperature plasma radiation modelling (uv/vis/infrared)


Spectral visualizuation utilites