Authors#

The SimpNMR-X package is developed by the following contributors:

  • Ernest Borysenko — current maintainer and lead developer, PhD student at the University of Bath, Suturina Group.

  • Dr. Jon Kragskow — original author, developed the initial version of the package as a member of the Suturina Group at the University of Bath.

  • Dr. James Whipham — contributor, implemented relaxation mechanisms as a member of the Suturina Group at the University of Bath.

  • Dr. Elizaveta Suturina — principal investigator, Suturina Group, University of Bath.

Citation#

To acknowledge SimpNMR-X in your work, please include the simpnmr_x version number and cite the associated publication.

The primary reference for SimpNMR-X is the associated ChemRxiv preprint. The repository also includes machine-readable citation metadata in CITATION.cff.

The version number can be obtained using the following terminal command:

pip show simpnmr-x
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