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https://github.com/Saoge123/ccgnet #5

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sutapaucd opened this issue Jun 7, 2023 · 6 comments
Closed

https://github.com/Saoge123/ccgnet #5

sutapaucd opened this issue Jun 7, 2023 · 6 comments

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@sutapaucd
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Hi,
In CCGnet-OB directory, I was trying to execute predict.py. However, I got the following error:
File "predict.py", line 99, in make_graph_dataset
self.data_attr_names = D[0].keys()
AttributeError: 'NoneType' object has no attribute 'keys'

Also, I am using ccgnet-main/data/Test/Test_Table.tab and ccgnet-main/data/Test/coformers as pwd of input files.
If you could please suggest probable solution.
Thanks.

@y31apw00
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Hi sutapaucd,
I am a new user of CCGNet and I met the same problem with you.

Using the example table and files as input to Predict.py in CCGnet-OB showed "AttributeError: 'NoneType' object has no attribute 'keys'". I tried to trace source code and input file. Input data can be opened at initial code of "class Dataset(object)". I do not know why the data structure seems empty at "make_graph_dataset".

Do you have any ideas about what's going on?

@Saoge123
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Hi:
I am sorry for the late replay. We recommand to use the codes in origin ccgnet instead of ccgnet-OB, because the ccgnet-OB can not reproduce the results in the artical. You can try using the predict.py in origin ccgnet to the ccgnet-OB. Please contact us if you have any questions.

@sutapaucd
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sutapaucd commented Jun 21, 2023 via email

@sutapaucd
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Hi, so which version of ccdc python api is compatiable with ccgnet.

@sutapaucd
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sutapaucd commented Jun 21, 2023 via email

@Saoge123
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Saoge123 commented Jun 21, 2023 via email

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