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How to generate new molecules using ORGANIC and/ ORGAN? #7

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@chengthefang

Hi authors,

Thank you for your impressive paper and kind release of the codes. I am inspired by the ORGAN and ORGANIC work, and would like to play with that to see how powerful the RL+GAN is in de-novo molecular design. However, I went through the ORGANIC codes, but couldn't figure out how to use the trained model to generate new molecules for a given molecule? If possible, would you mind provide a simple example to show how to implement the new molecule generation with the codes?

Thanks,
Cheng

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  1. wujinkui commented on Aug 15, 2019

    @wujinkui

    dalao(大佬
    do you know how to generate new molecules using ORGANIC now? If not, have you found another code to generate new molecules?

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