How to generate new molecules using ORGANIC and/ ORGAN?

[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

[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?