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.
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Updated
Oct 12, 2024 - Visual Basic .NET
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.
SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
A library for Raman spectroscopy harmonization
A open-source program for computing the first-order resonance Raman spectroscopy based on Quantum ESPRESSO
Efficiently compute off-resonance Raman spectra from first principles calculations (e.g. VASP) using polynomial models and ML/AI.
Orange workflow add-on for processing Raman spectra
Comparativa de algoritmos de reducción de dimensionalidad para datos de espectroscopía Raman.
Python-based tool for analyzing raw data from Raman mapping measurements
Python package that provides a full range of functionality to process and analyze vibrational spectra (Raman, SERS, FTIR, etc.).
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.
Conversion for Raman Spectroscopy
Luminescence data analysis with HyperSpy.
Python-based tool for analyzing raw data from Raman mapping measurements
Procedures (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.
RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis
Integrate your chemometric tools with the scikit-learn API 🧪 🤖
A python package for communicating with Bruker OPUS spectroscopy software and reading its binary file format.
Raman Data Analysis Application The Raman Data Analysis application is a user-friendly web tool developed by Nimendra Nawanjana to assist scientists and researchers in the analysis of Raman spectroscopy data.
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