error when using ASKCOS core

ASKCOS / askcos-core

Python package for the ASKCOS platform for prediction of chemical reactivity

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error when using ASKCOS core #8

Open hongxianglics opened 1 year ago

hongxianglics commented 1 year ago

Hi,

I am interested in the ASKCOS tool and trying to use the retrosynthetic transformer. I followed the instruction to install the package and run the command python3 askcos/retrosynthetic/transformer.py but got the error in the following figure

could you please help me with this problem? Thanks!

mliu49 commented 1 year ago

Hi @hongxianglics, you may need to add askcos-core to your PYTHONPATH so the Python can find the import.

In your terminal (or added to your shell config file):

export PYTHONPATH=~/chemoenzymatic-askcos/askcos-core:$PYTHONPATH