piwheels

nmrgnn

Chemical shift predictor

Installation

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

pip3 install nmrgnn

Dependencies

• tensorflow
• keras-tuner
• tqdm
• click
• mdanalysis
• numpy
• pandas
• nmrgnn-data

Releases

Version	Released	Bookworm Python 3.11	Trixie Python 3.13	Files
0.7	2021-08-31
nmrgnn-0.7-py3-none-any.whl (22 KB)
0.6	2021-08-27
nmrgnn-0.6-py3-none-any.whl (22 KB)
0.5	2021-08-23
nmrgnn-0.5-py3-none-any.whl (21 KB)
0.4	2021-08-19
nmrgnn-0.4-py3-none-any.whl (21 KB)
0.3	2021-08-16
nmrgnn-0.3-py3-none-any.whl (21 KB)

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