unlpredict

Predict the bond dissociation energy (BDE)

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Last Update: 2013-06-21

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This project provides a full set of tools to predict bond dissociation energy (BDE) of non-cyclic bonds. Both the program to calcuate the descriptor, to predict energies and the relavant resource files including the configuration file, the trained machine learning models, the original data-set can be found in this project.

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2013-06-21

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