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jkwang93 authored Jul 9, 2021
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Expand Up @@ -11,7 +11,7 @@ MCMG: multi-constraints molecular generation approach based on conditional trans


## How to run?
The default task of our code is to generate molecules of task 1 in paper(DRD2+QED+SA). Users can customize their own tasks by modifying the code.
The default task of our code is to generate molecules of task 1 in paper(DRD2+QED+SA). Users can customize their own tasks by modifying the code. Users can run the MCMG model by excuting the 1-4 .py files in sequence according to the following script.

- The path of initial data: data/drd2/con_RE_filter_test_drd.csv and data/drd2/con_RE_filter_train_drd.csv

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