Plots absorption spectra from from ORCA output files

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

Library for processing of chemistry related files (aiming at spectroscopy and structural files)

Automatic Prediction of Peak Optical Absorption Wavelengths in Molecules using Convolutional Neural Networks

Easily transfer selected states from ORCA output files into tables

A Python package based on the ASpecD framework for handling UVVis data.

R package to calculate optical band gap of semiconductors from UV-Vis spectra using the Tauc method

SPCViewer (fka. BluEPRint) is a versatile Tool for NMR, EPR and UV/Vis Spectroscopy

Easily transfer selected states from ORCA output files into tables (Go Edition)

Collection of scripts used for an upper-division biochemistry lab sequence.

*Expo*/*Data Exporter* can extract measurement data from predefined data sets in order to simplify the subsequent plotting in graphs. Additionally, there is the possibility to normalize the data.

This is a Python3 script to help assigning UV visible bands to transitions predicted by Tanabe-Sugano diagrams.