Published May 25, 2021 | Version 0.0.1
Software Open

Graph-To-Structure: Prediction of molecular structures, transition-states and solids from graphs

Creators

  • 1. University of Vienna

Description

A static Python implementation of the Graph-To-Structure kernel ridge regression model.

Files

g2s_qmlcode_example.zip

Files (25.1 MB)

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md5:020b3bd5c2a00c02cce583e51973507e
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