spetroscopy

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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

Scalpels algorithm

Prediction of ssNMR spectra from structure

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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