nmrgnn

Chemical shift predictor

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install nmrgnn

Releases

Version Released Bullseye
Python 3.9
Bookworm
Python 3.11
Files
0.7 2021-08-31  
0.6 2021-08-27  
0.5 2021-08-23  
0.4 2021-08-19  
0.3 2021-08-16  

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Page last updated 2025-06-27 19:18:04 UTC