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How should I reproduce the MolOpt Experiment #42

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xiaohu714 opened this issue Dec 2, 2024 · 0 comments
Open

How should I reproduce the MolOpt Experiment #42

xiaohu714 opened this issue Dec 2, 2024 · 0 comments

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@xiaohu714
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Hi Chemformer Team,

Thanks for the nice work!

I'm currently working to reproduce the experiment presented in Table 3, specifically regarding molecule optimization with respect to lipophilicity, ESOL, and free solvation. Could you provide detailed instructions or guidance on how to conduct this experiment since I didn't find any instructions in the repo.

Thank you for your guidance in advance.

Xiao
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