raman-spectroscopy
There are 9 repositories under raman-spectroscopy topic.
- spectrochempy
spectrochempy / spectrochempy
SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
Language:Python 134 - RamanSPy
barahona-research-group / RamanSPy
RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis
Language:Jupyter Notebook 86 - BoxSERS
ALebrun-108 / BoxSERS
Python package that provides a full range of functionality to process and analyze vibrational spectra (Raman, SERS, FTIR, etc.).
Language:Jupyter Notebook 60 xieguigang / mzkit
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.
Language:Visual Basic .NET 56StatguyUser / 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.
Language:Python 52- chemotools
paucablop / chemotools
Integrate your chemometric tools with the scikit-learn API 🧪 🤖
Language:Python 49 alchem0x2A / py-wdf-reader
Python package for read-only accessing the wdf Raman spectroscopy from Ranishaw WiRE software
Language:Python 41btjones-me / raman_spectroscopy
Master's disseration source code to find peaks of Raman Spectroscopy of CZTS and fit Lorentzians to decompose the structure.
Language:Python 36- Language:Python 26
fmolivato / RamanDataGenerator
Generator useful to handle Raman spectra data augmentation for deep learning models
Language:Python 25raman-noodles / raman-spectra-decomp-analysis
Python code to identify and calculate decomposition of materials using Raman spectroscopy
Language:Jupyter Notebook 24- Language:Python 21
- raman-fitting
MyPyDavid / raman-fitting
A Python framework for the batch processing and deconvolution of Raman spectra of carbonaceous materials.
Language:Python 20 lyn1874 / raman_spectra_matching_with_contrastive_learning
Official implementation for paper "Raman spectra matching with contrastive representation learning"
Language:Python 15joshduran / brukeropus
A python package for communicating with Bruker OPUS spectroscopy software and reading its binary file format.
Language:Python 14- Language:Python 14
- QERaman
nguyen-group / QERaman
A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO
Language:Fortran 13 frenkowski / Deep_Learning_for_Bacteria_Identification_using_Raman_Spectroscopy
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%.
Language:Python 11ankit7540 / RamanSpecCalibration
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.
Language:Jupyter Notebook 8chuckedfromspace / carspy
A python module for synthesizing and fitting experimental spectra obtained with Coherent Anti-Stokes Raman Spectroscopy (CARS).
Language:Python 8NFDI4Chem / VibrationalSpectroscopyOntology
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.
Language:Makefile 82DMatSci / ML_Raman_tBLG
Code and data for the paper ACS Applied Nano Materials 5, 1356-1366, 2022 doi:10.1021/acsanm.1c03928
Language:Python 7tildekara / Raman-spectroscopy---data-analysis-in-Python-and-autonatic-export-to-txt-files
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.
Language:Jupyter Notebook 7- ramannoodle
wolearyc / ramannoodle
Efficiently compute off-resonance Raman spectra from first principles calculations (e.g. VASP) using polynomial models and ML/AI.
density-functional-theorygraph-neural-networksmachine-learningmolecular-dynamicsmolecular-dynamics-analysismolecular-dynamics-trajectoriesphononsphonopypolarizabilitypythonramanraman-cross-sectionraman-spectraraman-spectroscopyraman-spectrumspectroscopyvaspvasp-calculationsvasp-processingvibrational-analysisLanguage:Python 7 h2020charisma / ramanchada2
A library for Raman spectroscopy harmonization
Language:Python 5Orange workflow add-on for processing Raman spectra
Language:Python 4Intensity 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 calibration.)
Language:Python 3Procedures (for IgorPro) to perform operations needed in day to day analysis of spectroscopic data. For example, Raman or infrared spectra where the data is structured as array of 1-D or 2-D waves.
Language:IGOR Pro 3carolin-m / rR_Analyser
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.
Language:Python 2FengboMa / SpectraGuru_beta
SpectraGuru - A Spectra Analysis Application
Language:Python 2jasonMal42 / SARA
Similarity Assessment of Raman Arrays -- Quatitative matching scores between experimental and DFT Raman spectra using the WCCA metric
Language:Python 2- Language:HTML 2
LlucSF / Raman2imzML
R package to convert raman data in .txt format exported from WiRe 5.2(Renishaw) and FIVE 5.1(WiTec) into the imzML data format.
Language:C++ 2- Language:R 2
megatharun / pyRaman
A python library for 2-dimensional image analysis of Raman scattering data.
Language:HTML 2- Rising_Sun_Envelope_Method
rafael-a-monteiro-math / Rising_Sun_Envelope_Method
Companion website with an overview of the methods developed in the paper "The Rising Sun Envelope Method: an automatic and accurate peak location technique for XANES measurements".
Language:Jupyter Notebook 2
