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molecularmodelinglab / PhaKinPro

Pharmacokinetic property prediction with QSAR modeling
https://phakinpro.mml.unc.edu/
MIT License
6 stars 2 forks source link

fail to run the phakinpro.py #1

Closed MachineGUN001 closed 4 months ago

MachineGUN001 commented 5 months ago

hi,

thanks for providing such interesting work.

as the Readme file mentioned, I try to run

!python ./PhaKinPro/phakinpro.py --help

the script cannot work, could you please help recheck the code if it can work. thanks

Best,

jimmyjbling commented 4 months ago

Currently, PhaKinPro requires that the model are downloaded too (in the model dir of the repo) and that you call the the function from the repository that has the model dir. I suspect this is where the error is coming from.

I agree that is is bad, I'll make an update so you can call it from any directory

MachineGUN001 commented 4 months ago

thanks!