spetroscopy

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Scalpels algorithm

Crate envelopes for IR and Raman spectra calculated by PHonon from Quantum Espresso.

python numpy pytest scipy quantum-chemistry data-analysis matplotlib appium tkinter-gui tkinter-python spetroscopy

Repository of the FANDAS code for prediction ssNMR spectra from structure

proteins python3 software nmr chemical-shifts utrecht-university solid-state-nmr spetroscopy

Fast and Efficient semi-automated python wrapper for high-resolution optical spectroscopic analysis of rare dying stars

data-science data astronomy astrophysics spetroscopy

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