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wengong-jin / DSMBind

MIT License
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missing code of "chemprop" class #5

Closed jmlongriver closed 9 months ago

jmlongriver commented 9 months ago

I got an error as below:

File "tutorial.py", line 7, in from bindenergy.models import DrugAllAtomEnergyModel File "/DSMBind/bindenergy/models/init.py", line 3, in from .drug import * File "/DSMBind/bindenergy/models/drug.py", line 9, in from chemprop.features import BatchMolGraph, get_atom_fdim, get_bond_fdim, mol2graph ModuleNotFoundError: No module named 'chemprop'

cannot find any class definition of "chemprop", could you please help on it? thanks

lizongquan01 commented 9 months ago

I got an error as below:

File "tutorial.py", line 7, in from bindenergy.models import DrugAllAtomEnergyModel File "/DSMBind/bindenergy/models/init.py", line 3, in from .drug import * File "/DSMBind/bindenergy/models/drug.py", line 9, in from chemprop.features import BatchMolGraph, get_atom_fdim, get_bond_fdim, mol2graph ModuleNotFoundError: No module named 'chemprop'

cannot find any class definition of "chemprop", could you please help on it? thanks

Hi jmlongriver, Actually, this chemprop is a package, you can use "pip install pip install chemprop" to get it. Just take a try!

wengong-jin commented 9 months ago

Sorry yes please install chemprop using pip install chemprop. I have updated the README.