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spectrochempy
spectrochempy PublicForked from spectrochempy/spectrochempy
SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
Python 2
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magres-format
magres-format PublicForked from tfgg/magres-format
Code for parsing CCP-NC ab-initio magnetic resonance file format and processing ab-initio magnetic resonance parameters. Maintained by Tim Green (timothy.green@gmail.com). Modified to work with pyt…
Jupyter Notebook
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castepy
castepy PublicForked from tfgg/castepy
Python routines to generate CASTEP input files and process output.
Python
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