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

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.

Integrate your chemometric tools with the scikit-learn API 🧪 🤖

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

Master's disseration source code to find peaks of Raman Spectroscopy of CZTS and fit Lorentzians to decompose the structure.

Luminescence data analysis with HyperSpy.

Baseline correction, smoothing, processing and plotting of Raman spectra

Generator useful to handle Raman spectra data augmentation for deep learning models

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

Component Identification with Raman Spectroscopy Made Easy

Official implementation for paper "Raman spectra matching with contrastive representation learning"

Here we apply deep learning approaches to accurately identify 30 common bacterial pathogens, reaching an average isolate-level accuracy exceeding 78%, and an antibiotic treatment identification accuracy of 95%.

Code and data for the paper ACS Applied Nano Materials 5, 1356-1366, 2022 doi:10.1021/acsanm.1c03928

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

A library for Raman spectroscopy harmonization

Orange workflow add-on for processing Raman spectra

Intensity calibration procedure for spectrometers using multichannel detectors using spectroscopic intensity ratios as standards. (This is for relative intensity calibration and data from all available Raman bands are treated simultaneously to get wavelength/wavenumber dependent sensitivity after performing the established steps for intensity ca…

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

Similarity Assessment of Raman Arrays -- Quatitative matching scores between experimental and DFT Raman spectra using the WCCA metric

This is a python script for working with resonance Raman spectra. This script allows background correction, normalization and subtraction of single spectra and averaged data from multicolumn data.