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How to reproduce the results of the paper presentation? #33

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zhouhao-learning opened this issue Jun 25, 2019 · 0 comments

zhouhao-learning commented Jun 25, 2019

Hello, I want to use the data you provided to reproduce the results mentioned in the paper, such as the following results:

In particular, I don't know what is mentioned in your paper:

how the similarities in the generated molecules and training data are calculated.
How is the complexity of the molecule generated during training, such as polyphenyl rings, multiple substituents, in the code?

Can you provide a complete example? Thank You
Best wishes!

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