Training a deep neutral network instead of SPG

wengong-jin / icml18-jtnn

Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)

MIT License

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Training a deep neutral network instead of SPG #22

Closed NamanChuriwala closed 5 years ago

NamanChuriwala commented 6 years ago

This isn't exactly an issue, but do you think training an SPG is the best method to determine the logP values for molecules? Would a deep neural network perform better? Also, could you give the accuracy of the SPG used in the model?