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

• Astrophysics & astronomy spectra
• Atmospheric spectra
• General purpose
• Import-Export
• Infrared spectroscopy
• MDS spectroscopy
• UV/VIS spectroscopy
• Spectral inference
• 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.

Generate or analyse astrophysics / astronomy spectra

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

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

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

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

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

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

• SpectroscoPyx : spectroscopy package of the PlasmaPy project

Atmosphere spectra, with line of sight

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

• BART : Bayesian Atmospheric Radiative Transfer fitting code

• GARLIC (software) : Fortran line by line code

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

• lowtran : 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 : Helper functions in reading/writing LBLRTM input/output files.

General spectral processing or analysis packages

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

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

• scikit-spectra : 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 : Processing, analysing and modelling spectroscopic data (IR, NMR, UV-vis, ...).

Import/export of spectral data

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

• specio : Interface to read hypersectral data

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

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

• HAPI : HITRAN Application Programming Interface

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

• RADIS : 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 : Radiation Interface for Matlab Spectroscopy Calculations. Uses HITRAN and HITEMP

• WrightTools (software) : a Python package for multidimensional 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 : Perceptual Analysis, Visualization and Organization of Spectral Colour Data in R

and fitting

• Starfish : Tools for Flexible Spectroscopic Inference

general spectral analysis packages

• fityk : 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

• react-emission-spectra set of react components for visualising atomic lines on the visible spectrum.