A package for running basic NMR simulations.

Project description

nmr_sims

NMR simulations in Python.

Some rather simple simulations of basic NMR pulse sequences.

Everything uses the Zeeman basis in Hilbert space, so nothing too fancy is possible.

Currently have pulse-acquire, 2DJ, and HSQC code available.

Install with $pip install nmr-sims

To get started, take a look at (and run) $python -m nmr_sims pa, $python -m nmr_sims jres or $python -m nmr_sims hsqc.

0.0.6

May 10, 2022

0.0.5 yanked

May 9, 2022

Reason this release was yanked:

networkx was neglected from the list of package requirements.

This version

0.0.4

Mar 23, 2022

0.0.3

Feb 28, 2022

0.0.2

Feb 14, 2022

0.0.1

Feb 14, 2022

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