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.).

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.

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.

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.

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.

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

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 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.

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