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can you tell me how to generate more SMILES? #12

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mapengsen opened this issue Feb 2, 2023 · 0 comments
Open

can you tell me how to generate more SMILES? #12

mapengsen opened this issue Feb 2, 2023 · 0 comments

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@mapengsen
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can you tell me how to generate more SMILES?
The command is : spark-submit --driver-memory=8g sample_scaffolds.py -m drd2_decorator/models/model.trained.50 -i scaffold.smi -o generated_molecules.csv -r 16 -n 16 -d multi

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@mapengsen