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jkwang93 / MCMG

MCMG_V1
MIT License
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how to obtain the actives.txt file #11

Closed raycaohmu closed 1 year ago

raycaohmu commented 1 year ago

would you please share the actives.txt file or kindly tell me where to download it? thank you so much!

jkwang93 commented 1 year ago

No problem, but which actives.txt file do you want?

raycaohmu commented 1 year ago

No problem, but which actives.txt file do you want?

Thank you so much. The actives.txt in final_eval.py. Because I want to calculate the novelty and div. I found that the ref_path is needed.

jkwang93 commented 1 year ago

The actives.txt needs to be set to different activity data according to specific tasks. For example, if your task is to generate drd2 activity data, you can use the activity data of MCMG/data/drd2/drd2_activity.smi as the actives.txt.

raycaohmu commented 1 year ago

Got it! Thank you so much!

jkwang93 @.***> 于2023年4月19日周三 16:51写道：

The actives.txt needs to be set to different activity data according to specific tasks. For example, if your task is to generate drd2 activity data, you can use the activity data of MCMG/data/drd2/drd2_activity.smi as the actives.txt.

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