awesome-spectra 
🌈 A collaborative list of awesome software for spectroscopy. Feel free to contribute
Contents
- Astrophysics & astronomy spectra
- Atmospheric spectra
- FTIR & organic spectra
- Infrared spectroscopy
- MDS spectroscopy
- Raman spectroscopy
- UV/VIS spectroscopy
- Post-processing
- Databases
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
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ChiantiPy
: python package to calculate the radiative properties of astrophysical plasmas based on the CHIANTI atomic database
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pyspeckit
: a python spectroscopic toolkit for a wide variety of astronomical instruments.
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specutil
: : a Python package for spectral analysis in astronomy
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spectools
: spectroscopic module of the pyhdust package for multi-technique astronomical data
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radiospectra
: radio spectra on solar physics from the sunpy package
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SpectroscoPyx
: spectroscopy package of the PlasmaPy project
Atmospheric Spectra
Atmosphere spectra, with line of sight
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Py4CAtS (software) : Python code for Computational ATmospheric Spectroscopy (HITRAN, Geisa)
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BART
: Bayesian Atmospheric Radiative Transfer fitting code
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GARLIC (software) : Fortran line by line code
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MODTRAN (software) : software for MODerate resolution atmospheric TRANsmission
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lowtran
: LOWTRAN atmospheric absorption extinction, scatter and irradiance model--in Python and Matlab
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LBLRTM (software) : Line-by-line calculations of atmospheric fluxes and cooling rates
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libRadtran (software) : C / Fortran functions and programs for calculation of solar and thermal radiation in the Earth's atmosphere
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PyLBLRTM
: Helper functions in reading/writing LBLRTM input/output files.
FTIR & Organic Spectra
Generate or analyse FTIR spectra for organic spectroscopy #ftir
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pyspectra
: Python package for working with (hyper)spectral data
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Spectragryph (software) : software for FTIR / organic spectroscopy
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specio
: Python input/output for spectroscopic files
Infrared Spectroscopy
Generate or analyse infrared spectra for combustion / plasma physics applications #infrared
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HAPI
: HITRAN Application Programming Interface
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RADIS
: a fast line-by-line code for high-resolution infrared molecular spectra
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SpectraPlot (website) : online interface to HITRAN / HITEMP / NIST data
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HITRAN on the web (website) : online interface to HITRAN data
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RadISpeC
: Radiation Interface for Matlab Spectroscopy Calculations. Uses HITRAN and HITEMP
MDS Spectroscopy
- WrightTools (software) : a Python package for multidimensional spectroscopy
Raman Spectroscopy
Generate or analyse Raman spectra #raman
- rampy
: a Python package for spectral data processing (IR, Raman, XAS...)
UV / Visible Spectroscopy
*Generate or analyse UV/VIS spectra (electronic states of atoms / molecules)
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scikit-spectra
: Python pandas-based toolkit for explorative spectroscopy, in particular UVVis spectroscopic data.
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SPECAIR (software) : software for calculation and fitting of UV/VIS plasma emission
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SPARTAN (software) : software for line-by-line radiative calculation of high-temperature, low pressure plasmas
Post-processing
general spectral analysis packages
- fityk
: curve fitting (peak fitting) software
Databases
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)
Visualization
Spectral visualizuation utilites
- react-emission-spectra
set of react components for visualising atomic lines on the visible spectrum.
