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

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

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

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.

Data toolkits for processing NMR, MALDI MSI, MALDI single cell, Raman Spectroscopy, LC-MS and GC-MS raw data, chemoinformatics data analysis and data visualization.

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

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

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

Python code to identify and calculate decomposition of materials using Raman spectroscopy

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"

A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO

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%.

Python script to perform data analysis of Raman spectrum with fitting Lorentz curve with genetic algorithm of initial parameters to chosen mode and automatic export to txt file. This example was made in order to annalyse carbon nanotubes single point, multiple acquisitions measurement data.

A repository containing programs for determining the intensity calibration curve (or the wavelength sensitivity) for Raman spectrometers (and more) from the rotational Raman spectra of diatomic hydrogen and its isotopes.

WORK IN PROGRESS - The Vibration Spectroscopy Ontology defines technical terms with which research data produced in vibrational spectroscopy experiments can be semantically enriched, made machine readable and FAIR.

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