GitHub topics: spectroscopy

Repositories

mauricioAyllon/NASA-gamma

Gamma-ray spectroscopy analysis tools with a Graphical User Interface (GUI)

Language: Python - Size: 8.11 MB - Last synced at: about 3 hours ago - Pushed at: about 4 hours ago - Stars: 28 - Forks: 6

tmancal74/quantarhei

Open Quantum System Theory for Molecular Systems

Language: Python - Size: 6.68 MB - Last synced at: about 9 hours ago - Pushed at: about 10 hours ago - Stars: 23 - Forks: 17

rafsanlab/BioSpecML

A python module libraries for bio-spectroscopy machine learning and analysis.

Language: Python - Size: 420 KB - Last synced at: about 16 hours ago - Pushed at: about 17 hours ago - Stars: 1 - Forks: 0

aaroncelestian/ClaritySpectra

ClaritySpectra

Language: Python - Size: 5.21 MB - Last synced at: 1 day ago - Pushed at: 1 day ago - Stars: 0 - Forks: 0

jvhemmer/spec-tbx

Subroutines and example scripts for spectroelectrochemistry (and also general) data processing

Language: MATLAB - Size: 178 KB - Last synced at: 1 day ago - Pushed at: 1 day ago - Stars: 1 - Forks: 0

kmnhan/erlabpy

Complete python workflow for Angle-Resolved Photoemission Spectroscopy (ARPES)

Language: Python - Size: 28.1 MB - Last synced at: 2 days ago - Pushed at: 2 days ago - Stars: 9 - Forks: 8

tesselle/alkahest

Pre-Processing XY Data from Experimental Methods - :exclamation: This is a read-only mirror from https://codeberg.org/tesselle/alkahest

Language: R - Size: 1.7 MB - Last synced at: 2 days ago - Pushed at: 2 days ago - Stars: 5 - Forks: 0

l-ramirez-lopez/resemble

resemble is an R package which implements functions dedicated to non-linear modelling of complex spectroscopy data

Language: R - Size: 26.1 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 20 - Forks: 14

spectrochempy/spectrochempy

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

Language: Python - Size: 597 MB - Last synced at: 2 days ago - Pushed at: 4 days ago - Stars: 143 - Forks: 26

materialsvirtuallab/maml

Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

Language: Jupyter Notebook - Size: 153 MB - Last synced at: about 2 hours ago - Pushed at: 16 days ago - Stars: 413 - Forks: 87

paucablop/chemotools

Integrate your chemometric tools with the scikit-learn API 🧪 🤖

Language: Python - Size: 30.3 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 56 - Forks: 7

AstarVienna/speXtra

A python tool to manage and manipulate astronomical spectra

Language: Python - Size: 7.9 MB - Last synced at: 3 days ago - Pushed at: 3 days ago - Stars: 3 - Forks: 1

Anselmoo/spectrafit

📊📈🔬 SpectraFit is a command-line and Jupyter-notebook tool for quick data-fitting based on the regular expression of distribution functions.

Language: Python - Size: 626 MB - Last synced at: 2 days ago - Pushed at: 4 days ago - Stars: 28 - Forks: 8

cwgaldino/brixs

BRIXS is a python package for processing and analysis of XAS and RIXS spectra

Language: Python - Size: 195 MB - Last synced at: 5 days ago - Pushed at: 5 days ago - Stars: 4 - Forks: 1

PoliBrush is a freely distributed software designed for teaching exploratory multivariate analysis in the frame of color RGB and spectral imaging. PoliBrush implements principal component analysis (PCA) as its core method. A detailed user guide is provided in the following tutorial paper: https://doi.org/10.1016/j.chemolab.2023.104918

Size: 2.6 MB - Last synced at: 6 days ago - Pushed at: 6 days ago - Stars: 2 - Forks: 0

sdss/mangadap

The MaNGA Data Analysis Pipeline

Language: Python - Size: 152 MB - Last synced at: 6 days ago - Pushed at: 6 days ago - Stars: 20 - Forks: 11

marceelrf/tidyspec

Analyze spectroscopy data using tidy-data philosophy

Language: R - Size: 4.45 MB - Last synced at: 6 days ago - Pushed at: 6 days ago - Stars: 2 - Forks: 0

h2020charisma/ramanchada2

A library for Raman spectroscopy harmonization

Language: Python - Size: 19.3 MB - Last synced at: 7 days ago - Pushed at: 7 days ago - Stars: 5 - Forks: 3

ihsan1990-90/MCSpectra_app

Source code for the MCSpectra spectral simulation tool

Language: Python - Size: 76.7 MB - Last synced at: 7 days ago - Pushed at: 7 days ago - Stars: 0 - Forks: 0

JohannesBuchner/BXA

Bayesian X-ray analysis (nested sampling for Xspec and Sherpa)

Language: Python - Size: 80 MB - Last synced at: 4 days ago - Pushed at: 6 months ago - Stars: 61 - Forks: 19

l-ramirez-lopez/prospectr

R package: Misc. Functions for Processing and Sample Selection of Spectroscopic Data

Language: R - Size: 17.3 MB - Last synced at: about 4 hours ago - Pushed at: 2 months ago - Stars: 43 - Forks: 21

BrownDwarf/gollum

A microservice for programmatic access to precomputed synthetic spectral model grids in astronomy

Language: Python - Size: 13.8 MB - Last synced at: 8 days ago - Pushed at: 8 days ago - Stars: 22 - Forks: 6

gully/blase

Interpretable Machine Learning for astronomical spectroscopy in PyTorch and JAX

Language: Jupyter Notebook - Size: 74.3 MB - Last synced at: 8 days ago - Pushed at: 8 days ago - Stars: 27 - Forks: 8

Trovemaster/exocross

Fortran 2003 code to generate molecular spectra, partition functions, lifetimes, cooling functions etc using ExoMol line lists

Language: Fortran - Size: 23.4 MB - Last synced at: 8 days ago - Pushed at: 8 days ago - Stars: 11 - Forks: 6

tsyet12/Chemsy

A Minimalistic Automatic Framework for Chemometrics and Machine Learning

Language: Python - Size: 178 KB - Last synced at: 8 days ago - Pushed at: 8 days ago - Stars: 10 - Forks: 5

radicamc/exoTEDRF

Tools for end-to-end reduction of JWST exoplanet observations

Language: Python - Size: 80 MB - Last synced at: 8 days ago - Pushed at: 8 days ago - Stars: 1 - Forks: 4

OpenGammaProject/Gamma-MCA

☢️📊 Progressive Web App MCA for gamma spectroscopy including file and live plot support via a serial interface.

Language: TypeScript - Size: 38.2 MB - Last synced at: 1 day ago - Pushed at: 1 day ago - Stars: 44 - Forks: 10

wtbarnes/fiasco

Python interface to the CHIANTI atomic database

Language: Python - Size: 5.66 MB - Last synced at: 2 days ago - Pushed at: 9 days ago - Stars: 24 - Forks: 17

tum-esm/pyra

Pyra: Automated EM27/SUN Greenhouse Gas Measurements

Language: Python - Size: 26 MB - Last synced at: about 22 hours ago - Pushed at: 9 days ago - Stars: 14 - Forks: 0

nategphillips/pyGEONOSIS

A tool for simulating the Schumann–Runge (B-X) bands of molecular oxygen, and eventually the A-X transition of nitric oxide.

Language: Python - Size: 3.24 MB - Last synced at: about 8 hours ago - Pushed at: 9 days ago - Stars: 1 - Forks: 0

Anselmoo/TanabeSugano

A python-solver for Tanabe-Sugano and energy-correlation diagrams

Language: HTML - Size: 23.6 MB - Last synced at: 4 days ago - Pushed at: 16 days ago - Stars: 18 - Forks: 2

dodge-research-group/thztools

Tools for terahertz time-domain spectroscopy (THz-TDS)

Language: Python - Size: 91.4 MB - Last synced at: 5 days ago - Pushed at: 23 days ago - Stars: 17 - Forks: 10

radis/radis

🌱 A fast line-by-line code for high-resolution infrared molecular spectra

Language: Python - Size: 37.6 MB - Last synced at: 5 days ago - Pushed at: 9 days ago - Stars: 237 - Forks: 145

wincowgerDEV/OpenSpecy-shiny

This is a companion repo that holds the code for www.openspecy.org website and shiny application. The Open Specy package repo https://github.com/wincowgerDEV/OpenSpecy-package

Language: R - Size: 611 MB - Last synced at: 6 days ago - Pushed at: 15 days ago - Stars: 4 - Forks: 3

JuliaPhysics/ThinFilmsTools.jl

Tools for the design and characterisation of thin-films written in Julia.

Language: Julia - Size: 5.56 MB - Last synced at: about 4 hours ago - Pushed at: 6 days ago - Stars: 30 - Forks: 5

aphalo/romnidriver

An R wrapper of the OminiDriver runtime from Ocean Insight (formerly Ocean Optics), written in Java, allowing control and data acquisition from most spectromters from this supplier.

Language: R - Size: 1.46 MB - Last synced at: 11 days ago - Pushed at: 11 days ago - Stars: 1 - Forks: 0

kutukvpavel/drifts-helper

A small helper for integration of multiple spectra regions in TR-DRIFTS spectra series

Language: C# - Size: 14.6 KB - Last synced at: 12 days ago - Pushed at: 12 days ago - Stars: 0 - Forks: 0

OpenGammaProject/NPES-JSON

📂 Novel JSON Schema targeted at storing nuclear physics energy spectra (NPES) data.

Language: HTML - Size: 123 KB - Last synced at: 12 days ago - Pushed at: 12 days ago - Stars: 4 - Forks: 0

BjornMelin/specio-py310 Fork of paris-saclay-cds/specio

specio: Python input/output for spectroscopic files

Language: Python - Size: 49 MB - Last synced at: 2 days ago - Pushed at: 7 months ago - Stars: 0 - Forks: 0

jatanRT/eprscope

R package to process and analyze data and spectra in Electron Paramagnetic Resonance spectroscopy for chemists

Language: R - Size: 58.6 MB - Last synced at: 11 days ago - Pushed at: 11 days ago - Stars: 0 - Forks: 0

linien-org/linien

Spectroscopy lock application using RedPitaya

Language: Python - Size: 5.27 MB - Last synced at: 8 days ago - Pushed at: about 2 months ago - Stars: 86 - Forks: 20

kutukvpavel/PerkinElmer2CSV

Perkin Elmer SP file batch converter to CSV

Language: C# - Size: 21.5 KB - Last synced at: 13 days ago - Pushed at: 13 days ago - Stars: 7 - Forks: 0

prashjet/popkinmocks

Create mock IFU datacubes for stellar population and kinematic modelling.

Language: Python - Size: 21.1 MB - Last synced at: 8 days ago - Pushed at: 14 days ago - Stars: 5 - Forks: 1

wojdyr/fityk

curve fitting (peak fitting) software

Language: C++ - Size: 15.1 MB - Last synced at: 6 days ago - Pushed at: 5 months ago - Stars: 274 - Forks: 57

giogina/SpectraMatcher

SpectraMatcher is a fast, GUI-based, interactive Python program for comparing computed and experimental vibronic spectra. It features real-time spectral adjustment, automated peak assignment, type-specific anharmonic corrections, and export to publication-ready formats. Supports Gaussian log files and plain text or spreadsheet experimental spectra.

Language: Python - Size: 1.9 GB - Last synced at: 15 days ago - Pushed at: 15 days ago - Stars: 0 - Forks: 0

r-hyperspec/pkg-repo

r-hyperspec packages repository

Size: 2.09 GB - Last synced at: 15 days ago - Pushed at: 15 days ago - Stars: 1 - Forks: 0

chianti-atomic/chianti-idl

The official IDL interface to the CHIANTI atomic database for astrophysical spectroscopy

Language: IDL - Size: 984 KB - Last synced at: 15 days ago - Pushed at: 15 days ago - Stars: 5 - Forks: 1

BDomzal/magnetstein_x_chemical_reactions

Employing Magnetstein for the analysis of chemical reactions.

Language: Jupyter Notebook - Size: 1.55 GB - Last synced at: 16 days ago - Pushed at: 16 days ago - Stars: 0 - Forks: 0

BioPhysicsUP/Full_SMS

This is a repo for a Python based application to open SMS .h5 files, and perform the initial analysis and exporting.

Language: Python - Size: 53.1 MB - Last synced at: 9 days ago - Pushed at: 9 days ago - Stars: 3 - Forks: 0

charlesll/Spectra.jl

Spectra.jl aims at helping treatment of spectral (Raman, Infrared, XAS, NMR) data under the Julia language

Language: Julia - Size: 78.1 MB - Last synced at: 18 days ago - Pushed at: 18 days ago - Stars: 37 - Forks: 11

derb12/pybaselines

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

Language: Python - Size: 2.39 MB - Last synced at: 17 days ago - Pushed at: 17 days ago - Stars: 133 - Forks: 18

HPQC-LABS/potfit

Fits an anlalytic potential energy curve in order to reproduce spectroscopic or ab-initio data

Language: Roff - Size: 6.43 MB - Last synced at: 19 days ago - Pushed at: 19 days ago - Stars: 4 - Forks: 0

schote/nexus-console

MRI console application based on spectrum-instrumentation measurement cards and pulse sequences from pypulseq. Read more in the docs!

Language: Python - Size: 19 MB - Last synced at: about 14 hours ago - Pushed at: about 15 hours ago - Stars: 17 - Forks: 5

mfroeling/QMRITools

Processing and visualization tools for quantitative MRI data

Language: Mathematica - Size: 585 MB - Last synced at: 8 days ago - Pushed at: 20 days ago - Stars: 66 - Forks: 17

gomesdasilva/ACTIN

ACTIN is a Python program to calculate stellar activity indices

Language: Python - Size: 48.4 MB - Last synced at: 8 days ago - Pushed at: over 2 years ago - Stars: 16 - Forks: 4

arparaschiv/solar-coronal-inversion

This is the main repository for the CLEDB code distribution. CLEDB is utilized to infer vector magnetic fields in the solar corona.

Language: Jupyter Notebook - Size: 163 MB - Last synced at: 21 days ago - Pushed at: 21 days ago - Stars: 10 - Forks: 2

astropy/specreduce

Tools for the reduction of spectroscopic observations from Optical and NIR instruments

Language: Jupyter Notebook - Size: 18.5 MB - Last synced at: 3 days ago - Pushed at: 21 days ago - Stars: 65 - Forks: 40

cwgaldino/spectragen4

Command line based calculation of XAS/RIXS spectra via Quanty and Crispy.

Language: Python - Size: 44.9 KB - Last synced at: 22 days ago - Pushed at: 22 days ago - Stars: 0 - Forks: 0

erwanp/awesome-spectra

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

Size: 36.1 KB - Last synced at: 8 days ago - Pushed at: almost 2 years ago - Stars: 116 - Forks: 25

charlesll/rampy

Python software for spectral data processing (IR, Raman, XAS...)

Language: Python - Size: 53.6 MB - Last synced at: 6 days ago - Pushed at: about 2 months ago - Stars: 234 - Forks: 62

wolearyc/ramannoodle

Efficiently compute off-resonance Raman spectra from first principles calculations (e.g. VASP) using polynomial models and machine learning..

Language: Python - Size: 11 MB - Last synced at: 20 days ago - Pushed at: about 2 months ago - Stars: 7 - Forks: 3

ThomasFabula/Atomic-Physics

Programme zur Auswertung von atomphysikalischen Messungen, Institut für Angewandte Physik der Universität Bonn, verschiedene Autoren - 198x

Language: Fortran - Size: 949 KB - Last synced at: 24 days ago - Pushed at: 24 days ago - Stars: 2 - Forks: 0

segasai/rvspecfit

Radial velocity and stellar parameter fitting code for large surveys

Language: Python - Size: 1.05 MB - Last synced at: 24 days ago - Pushed at: 24 days ago - Stars: 20 - Forks: 1

StSav012/pycatsearch

Spectral lines catalogs search tool

Language: Python - Size: 1.13 MB - Last synced at: 24 days ago - Pushed at: 25 days ago - Stars: 0 - Forks: 0

alexriss/SpmImageTycoon.jl

Organize Scanning Probe Microscopy (SPM, STM, AFM) Images and Spectra.

Language: Julia - Size: 27.1 MB - Last synced at: 8 days ago - Pushed at: 3 months ago - Stars: 14 - Forks: 1

joshduran/brukeropus

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

Language: Python - Size: 1.14 MB - Last synced at: 12 days ago - Pushed at: 12 days ago - Stars: 19 - Forks: 2

BakmanTechnologies/PB7300_Software_Py

PB7300 Control Software

Language: Python - Size: 156 KB - Last synced at: 26 days ago - Pushed at: 26 days ago - Stars: 1 - Forks: 0

zebhall/Spectral-Anomaly-Checker

Simple tool to identify anomalous peaks in Energy-Dispersive XRF spectra, show what they could be caused by or what could be interfering with the detection of an element of interest. Reports which sum peaks, escape peaks, and fluorescence lines are closest to a given energy or element. Requires pandas library.

Language: Python - Size: 109 KB - Last synced at: 28 days ago - Pushed at: 28 days ago - Stars: 0 - Forks: 0

HawkMRS/pyAMARES

pyAMARES, an Open-Source Python Library for Fitting Magnetic Resonance Spectroscopy Data

Language: Python - Size: 9.03 MB - Last synced at: 16 days ago - Pushed at: 16 days ago - Stars: 5 - Forks: 1

TommasoRonconi/galapy

Spectral modelling tool for galaxies in python

Language: Python - Size: 198 MB - Last synced at: 19 days ago - Pushed at: 6 months ago - Stars: 9 - Forks: 1

MKastek/simLIBS

simLIBS provides Python class to simulate LIBS spectra with NIST LIBS Database interface.

Language: Python - Size: 8.47 MB - Last synced at: 7 days ago - Pushed at: 12 months ago - Stars: 12 - Forks: 5

lbl-anp/becquerel

Becquerel is a Python package for analyzing nuclear spectroscopic measurements.

Language: Python - Size: 33.2 MB - Last synced at: 8 days ago - Pushed at: about 1 month ago - Stars: 49 - Forks: 16

pmelchior/spender

Spectrum encoder and decoder

Language: Python - Size: 402 KB - Last synced at: 14 days ago - Pushed at: 3 months ago - Stars: 39 - Forks: 11

OpenGammaProject/Gamma-Spectrum-Database

🗄️ Open and comprehensive database of common gamma-ray emitting radioisotopes for gamma-spectroscopy.

Language: HTML - Size: 4.97 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 13 - Forks: 3

dd-hebert/uv_pro

Command line tool for parsing and processing UV-Vis data from the Agilent 845x Chemstation software.

Language: Python - Size: 5.09 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 2 - Forks: 1

OJB-Quantum/Free-Education

A collection of free educational materials, most of which are interactive or 3D animated. (See README below). You may find inspiration for measurement techniques here. They may improve your comprehension of STEM topics & even writing.

Size: 143 KB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 32 - Forks: 5

hyperspy/exspy

EDS and EELS data analysis with HyperSpy

Language: Python - Size: 18.9 MB - Last synced at: 8 days ago - Pushed at: 16 days ago - Stars: 13 - Forks: 11

hyperspy/hyperspyUI

A user interface for the hyperspy package. https://hyperspy.org/hyperspyUI

Language: Python - Size: 14.7 MB - Last synced at: 2 days ago - Pushed at: 16 days ago - Stars: 28 - Forks: 15

e-j-w/SpecFitter

A GUI for gamma-ray spectroscopy or similar data analysis, using GTK3.

Language: C - Size: 1.11 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 3 - Forks: 0

dotTHzTAG/thzpy

A user friendly scientific computing library for processing THz time domain spectroscopy data.

Language: Python - Size: 341 KB - Last synced at: 23 days ago - Pushed at: about 1 month ago - Stars: 0 - Forks: 1

h2020charisma/spc-io

A parser for the SPC file format

Language: Python - Size: 50.8 KB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 0 - Forks: 3

deshima-dev/demerge

:truck: DESHIMA merge code for observed datasets

Language: Python - Size: 238 MB - Last synced at: 4 days ago - Pushed at: about 1 month ago - Stars: 3 - Forks: 1

Autumn10677/ASDtools

A set of tools for loading and visualizing the NIST ASD.

Language: Jupyter Notebook - Size: 13.6 MB - Last synced at: 5 days ago - Pushed at: about 1 month ago - Stars: 0 - Forks: 0

bryanhanson/ChemoSpec

R functions for the chemometric analysis of spectra

Language: R - Size: 291 MB - Last synced at: 4 days ago - Pushed at: about 1 month ago - Stars: 61 - Forks: 21

LauraSp/QUIDDIT3

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

Language: Jupyter Notebook - Size: 8.95 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 5 - Forks: 1

pycroscopy/pycroscopy

Scientific analysis of nanoscale materials imaging data

Language: Jupyter Notebook - Size: 354 MB - Last synced at: 7 days ago - Pushed at: 3 months ago - Stars: 265 - Forks: 75

branchialspace/BOFS-1

Bismuth Organic Framework Sensor 1

Language: Python - Size: 1.89 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 0 - Forks: 0

WasatchPhotonics/ENLIGHTEN

Open-source spectroscopy application for controlling and taking measurements from Wasatch Photonics spectrometers.

Language: Python - Size: 81.3 MB - Last synced at: 7 days ago - Pushed at: 7 days ago - Stars: 4 - Forks: 6

AlexanderSouthan/pyPreprocessing

Especially useful for preprocessing of datasets like Raman spectra, infrared spectra, UV/Vis spectra, but also HPLC data and many other types of data. pyPreprocessing includes baseline correction, smoothing, filtering, normalization and transformation.

Language: Python - Size: 107 KB - Last synced at: 6 days ago - Pushed at: about 1 month ago - Stars: 17 - Forks: 4