pawelgoj / Envelope-for-QE-PH-calculations Star 5 Code Issues Pull requests 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 Updated Oct 27, 2022 Python
RvSpectML / Scalpels.jl Star 4 Code Issues Pull requests Scalpels algorithm exoplanets time-series-analysis radial-velocities astrostatistics spetroscopy cross-correlation-function Updated Aug 16, 2023 Julia
haddocking / fandas Star 2 Code Issues Pull requests Repository of the FANDAS code for prediction ssNMR spectra from structure proteins python3 software nmr chemical-shifts utrecht-university solid-state-nmr spetroscopy Updated Jun 20, 2024 Python