spectrochempy / spectrochempyView external linksLinks
SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
☆156Updated this week
Alternatives and similar repositories for spectrochempy
Users that are interested in spectrochempy are comparing it to the libraries listed below
Sorting:
- Especially useful for preprocessing of datasets like Raman spectra, infrared spectra, UV/Vis spectra, but also HPLC data and many other t…☆21Apr 14, 2025Updated 10 months ago
- Python notebooks for teaching analytical chemistry☆14Apr 5, 2021Updated 4 years ago
- 🌈 A collaborative list of awesome tools for spectroscopy. Also, check:☆127Aug 1, 2023Updated 2 years ago
- Python package that provides a full range of functionality to process and analyze vibrational spectra (Raman, SERS, FTIR, etc.).☆73Sep 25, 2024Updated last year
- FOSS Resources for Spectroscopy☆21Nov 25, 2025Updated 2 months ago
- Python package for reading Bruker OPUS files.☆64Sep 14, 2023Updated 2 years ago
- Official implementation for paper "Raman spectra matching with contrastive representation learning"☆19Nov 22, 2022Updated 3 years ago
- ☆12Jan 30, 2026Updated 2 weeks ago
- The purpose of this repository is to use Transfer Learning in order to classify patients affected by Amyotrophic Lateral Sclerosis using …☆13Mar 10, 2021Updated 4 years ago
- Python software for spectral data processing (IR, Raman, XAS...)☆251Jun 5, 2025Updated 8 months ago
- A package for plotting and manipulating 1D spectra☆12Jul 30, 2024Updated last year
- A Python framework for the batch processing and deconvolution of Raman spectra of carbonaceous materials.☆28Sep 4, 2025Updated 5 months ago
- DeepeR: deep learning enabled Raman spectroscopy☆103Dec 11, 2023Updated 2 years ago
- Python library for chemometric data analysis☆36Oct 16, 2022Updated 3 years ago
- Code for paper Extended Multiplicative Signal Augmentation: An alternative to pre-processing of infrared spectra☆14Jan 15, 2021Updated 5 years ago
- ☆15Sep 18, 2020Updated 5 years ago
- Deep Convolutional Neural Networks for Raman Spectrum Recognition. (RRUFF dataset)☆35Aug 18, 2020Updated 5 years ago
- Computer-aided synthesis planning☆46Feb 8, 2026Updated last week
- python wrapper for fdmnes data input/output☆14Mar 11, 2021Updated 4 years ago
- pyMCR: Multivariate Curve Resolution for Python☆91Oct 26, 2021Updated 4 years ago
- A classification method for hyperspectral data based on convolutional neural networks (may be applicable to other spectra such as Raman s…☆13Jul 10, 2021Updated 4 years ago
- R functions for the chemometric analysis of spectra☆63Sep 9, 2025Updated 5 months ago
- Baseline correction, smoothing, processing and plotting of Raman spectra☆25May 18, 2024Updated last year
- Plots IR spectra from from ORCA output files☆22Oct 2, 2024Updated last year
- Python library for reading, writing, and converting computational chemistry file formats and generating input files.☆159Feb 7, 2026Updated last week
- Source code of the paper "Prediction of Molecular Absorption Wavelength Using Deep Neural Networks"☆10May 29, 2022Updated 3 years ago
- ☆38Mar 18, 2022Updated 3 years ago
- Automated Quantum Mechanical Environments (AQME) offers transparent and reproducible workflows available for Jupyter Notebooks and comman…☆121Feb 8, 2026Updated last week
- A python package for communicating with Bruker OPUS spectroscopy software and reading its binary file format.☆32Nov 14, 2025Updated 3 months ago
- pyChemometrics - Objects for multivariate analysis of chemometric and metabonomic datasets☆41Apr 5, 2025Updated 10 months ago
- Quantum Chemistry Web Platform☆71Nov 12, 2025Updated 3 months ago
- Chemometric analysis methods implemented in python☆13Jul 13, 2025Updated 7 months ago
- ☆19Updated this week
- A collection of scripts for the purpose of processing and extracting information from fourier transform infrared spectra.☆26Dec 19, 2016Updated 9 years ago
- PyMassSpec extension for searching mass spectra using NIST's Mass Spectrum Search Engine.☆22Jan 20, 2026Updated 3 weeks ago
- an automatic plot digitizer for spectroscopy images (i.e. XANES and Raman)☆42Nov 3, 2022Updated 3 years ago
- A peak-fitting tool based on MATLAB for spectroscopic data analysis.☆44Oct 5, 2024Updated last year
- Python input file generators for Avogadro 2☆16Feb 6, 2026Updated last week
- Analysis of EXAFS Spectra using AI☆19Jul 2, 2023Updated 2 years ago