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new commit about mol_opt HOT 2 CLOSED

futianfan avatar futianfan commented on August 19, 2024
new commit

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Comments (2)

GuoJeff avatar GuoJeff commented on August 19, 2024

@futianfan
Hi Tianfan, yes, smiles_aug_mem and smiles_bar require an additional package installed with:

pip install reinvent-models==0.0.15rc1

I tried to include this information in the additional package in the README.

Thank you for the great repository!

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futianfan avatar futianfan commented on August 19, 2024

hi Jeff,

thanks for your prompt response. I install the package and try again. it works! thanks so much!

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