chengyun

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Need the input chemical reaction santisfy atomic conservation?

hi: good work! I want to reappear your work. Unfortunately, in get_date.py,the last line code called write_to_files(data) have a IndentationError: unexpected indent in pycharm. I wonder that whether your codes...

Need the input chemical reaction santisfy atomic conservation?

Thank you for your reply，I successfully get SMILES that i want by following your guides. best wishes!

Need the input chemical reaction santisfy atomic conservation?

hi：From your data，i only get the maping-smiles（rxn_smiles），can your offer the original smiles without maping？ Thanks

Need the input chemical reaction santisfy atomic conservation?

Thanks to your guides.

how to use this model for molecule property prediction

> @chengyunzhang Hi, there~Did you solve the problem? I am trying to use it for atomic force predition too. thank you for your kind reply,i have adressed it