piwheels

nmrgnn-data

Chemical shift prediction dataset

Installation

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

pip3 install nmrgnn-data

Dependencies

• tensorflow
• click
• mdanalysis
• numpy
• importlib-resources

Releases

Version	Released	Bookworm Python 3.11	Trixie Python 3.13	Files
1.1.0	2023-06-08
nmrgnn_data-1.1.0-py3-none-any.whl (32 KB)
0.7	2021-08-31
nmrgnn_data-0.7-py3-none-any.whl (31 KB)
0.6	2021-08-27
nmrgnn_data-0.6-py3-none-any.whl (31 KB)
0.5	2021-08-23
nmrgnn_data-0.5-py3-none-any.whl (31 KB)
0.4	2021-08-23
nmrgnn_data-0.4-py3-none-any.whl (31 KB)
0.3	2021-08-16
nmrgnn_data-0.3-py3-none-any.whl (31 KB)

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