mrsimulator: v0.4.0: A fast solid-state NMR spectrum simulation/analysis library.

Deepansh Srivastava, Maxwell C. Venetos, Philip J. Grandinetti & Shyam Dwaraknath
mrsimulator is an open-source python package for computing fast and versatile solid-state NMR simulator of one-dimensional static, MAS, and VAS spectra of nuclei experiencing chemical shift (nuclear shielding) and quadrupolar coupling interactions. The library is optimized for computing both crystalline and amorphous materials and is compatible with modern python packages, such as scikit-learn, Keras, etc.
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