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.

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

Component Identification with Raman Spectroscopy Made Easy

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

We apply deep learning approaches to accurately identify 30 common bacterial pathogens, achieving an average isolate-level accuracy of over 78% and an antibiotic treatment identification accuracy of 95%.

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

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

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

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…

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