Raman Spectroscopy Python Packages

spectrochempy

SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python

brukeropus

A python package for communicating with Bruker OPUS spectroscopy software and reading its binary file format.

renishawwire

Python package for read-only accessing the wdf Raman spectroscopy from Ranishaw WiRE software

hypercube-lcn

Locally connected deep neural network on a Boolean hypercube: the cube's edges are the wiring, and every weight trains. C++ core + Python SDK.

ramansep

Separate strain from carrier density in 2D-material Raman maps by two-mode inversion, with uncertainty propagation

hypercube-esn

Echo State Network (ESN) on a Boolean hypercube reservoir: sparse, XOR-defined connectivity and no stored adjacency. A tunable per-neuron delay line scales memory capacity super-multiplicatively. C++23 and Python SDKs.

hypercube-cascade

A cascaded preprocessor architecture built on the hypercube substrate: an etalon-style geometric mixing stage followed by a synthetic-orbit dynamical encoding stage, feeding a hypercube CNN.

hypercube-wtf

Frozen hypercube reservoir for static high-dimensional fields (spectra, sensors, images). Short synthetic orbit, HypercubeCNN on the end state only. C++23 + Python.

hypercube-etalon

HypercubeCNN with a hypercube preprocessor for static fields (spectra, images). A vertex and its antipode form an etalon; one reflection walk, then a thin readout. Not a reservoir. C++23.

baselineremoval

Perform baseline removal, baseline correction and baseline substraction for raman spectra using Modpoly, ImodPoly and Zhang fit. Returns baseline-subtracted spectrum. Please give proper citation as specified in the documentation if it has helped you.

ramanspy

RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis

ramanchada2

A library for Raman spectroscopy harmonization

orange-spectra

SpectraGryph-inspired desktop spectroscopy viewer & processor (PySide6 + pyqtgraph): FTIR/Raman/UV-Vis/NIR/XRF, baseline/smoothing/chemometrics, peak finding & Gaussian/Lorentzian/Voigt fitting, JCAMP-DX/SPC/OPUS IO.

fairaman

Python tool for converting biomedical Raman spectroscopy data into FAIR-oriented, AI-ready HDF5 files.

boxsers

Python package that provides a full range of functionality to process and analyze vibrational spectra (Raman, SERS, FTIR, etc.).

som-multimodal-datareduction

Self-organizing-map (SOM) reduction of multimodal materials data (nanomechanics, Raman, fracture): the packaged analysis behind Renteria et al., JMBBM 2022.

oranchada

Orange workflow add-on for processing Raman spectra

lumispy

Luminescence data analysis with HyperSpy.

carspy

A python module for synthesizing and fitting experimental spectra obtained with Coherent Anti-Stokes Raman Spectroscopy (CARS).

raman-fitting

A Python framework for the batch processing and deconvolution of Raman spectra of carbonaceous materials.

ramannoodle

Efficiently compute off-resonance Raman spectra from first principles calculations (e.g. VASP) using polynomial models and machine learning..

orange-assay

SpectraGryph-inspired desktop spectroscopy viewer & processor (PySide6 + pyqtgraph): FTIR/Raman/UV-Vis/NIR/XRF, baseline/smoothing/chemometrics, peak finding & Gaussian/Lorentzian/Voigt fitting, JCAMP-DX/SPC/OPUS IO.

foodspec

Headless, research-grade Python toolkit for Raman and FTIR spectroscopy in food science.