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

• UpdatedMar 17, 2025
• Python

A Python library of algorithms for the baseline correction of experimental data.

• UpdatedMar 16, 2025
• Python

🌈 A collaborative list of awesome tools for spectroscopy. Also, check:

• UpdatedAug 1, 2023

Python package for reading Bruker OPUS files.

• UpdatedSep 14, 2023
• Python

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

• UpdatedFeb 27, 2025
• Python

JASCO file to text file converter

• UpdatedJun 5, 2023
• Python

Read Nicolet/Thermo Omnic files on python (.spa).

• UpdatedApr 12, 2024
• Python

Jupyter Notebooks for spectroscopic data processing

• UpdatedMar 28, 2022
• Jupyter Notebook

Python package for working with spectral data. !!The project has been moved!!

• UpdatedJul 5, 2024
• Python

Explainable Detection of Microplastics using Transformer Neural Networks. Includes codes for a classification transformer aimed at classifying microplastic FTIR data.

• UpdatedFeb 2, 2025
• Python

QUIDDIT is a software tool for automated processing of diamond IR spectra

• UpdatedFeb 14, 2023
• Jupyter Notebook

Jupyter notebook fitting reflectance and transmittance curves of unknown thin film on substrate obtained by Fourier Transform Infrared Spectroscopy to Lorentz and Brendel-Bormann oscillator models respectively

• UpdatedJun 4, 2024
• Jupyter Notebook

The scripts contained in this repository relate directly to the work conducted by the Tree Root Microbiome Project (TRMP) led by Dr Steve Wakelin.

• UpdatedFeb 7, 2024
• HTML

Convert many binary format OPUS files to .dpt (Data Point Table) file format

• UpdatedFeb 2, 2021
• Python

A simple GUI tool to plot FTIR (Fourier transform infrared) spectroscopy data.

• UpdatedMay 28, 2023
• Python

Productivity tools for FTIR

• UpdatedAug 18, 2023
• VBA

Example codes for photonic simulations, mostly in the mid-IR region (2 um-20 um), using various open source packages.

• UpdatedMar 20, 2023
• Jupyter Notebook

Code to accompany the "Metasurface-enhanced infrared spectroscopy in multiwell format for real-time assaying of live cells" (Labs on a chip, 2023) 10.1039/d3lc00017f

• UpdatedApr 3, 2023
• Jupyter Notebook

From the Lower Crust to the mantle: elastic properties, anisotropy, and water content of the Cabo Ortegal complex

• UpdatedOct 7, 2024
• HTML

This repository showcases a database of 10,000 generated IR spectrum samples of leukemia cases (N=5000) and healthy controls (N=5000). Only the fingerprint region (1800 cm^-1 to 850 cm^-1 at 4 cm^-1 resolution) was considered.

• UpdatedNov 24, 2023
• MATLAB