Comments (3)
If you use the substrate SMILES as the input, definitely no such kind of warning or error. While if your predicted Kcat is "None", maybe you need to check the previous issue and solution here: #5.
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Hi, it works fine from my side either with the substrate name Naphthalene-1,6-diol
and the substrate SMILEs C1=CC2=C(C=CC(=C2)O)C(=C1)O
. If you still have this issue, I suggest you check the input.tsv
file by opening it using excel, you may mistakenly use space
rather than the tab
as the delimiter.
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Hi Feiran and Le,
Thanks for your response!
I just realized I made a stupid mistake by forgetting to put "index=False" when writing tsv file using pandas, which results in an index column as the first column. It's all good now after adding it.
Sorry for bothering you :)
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Related Issues (20)
- Loss calculation confusion HOT 2
- nomoudule name SOAPpy HOT 1
- Dear author, you know that you have done a famous and complex work. Then, I meet a question that proteome data NOT 404 HOT 1
- two substrates HOT 1
- error running example HOT 3
- Dataset problem HOT 3
- Example input.tsv file in DeeplearningApproach yields no kcats when run HOT 4
- Input a new sequence for measure Kcat using DLKcat HOT 1
- Reason for two kcat values in each PredcitedKcat343species file HOT 1
- Hyperparameter file for DLKcat HOT 3
- The dimension of the adjacency matrix is not consistent
- isssue about runing prediction_for_input.py HOT 4
- RMSE HOT 2
- result inconsistency HOT 1
- I can't find the file I'm looking for HOT 1
- RMSE and data HOT 7
- Unable to reproduce the results in Fig. 2a. HOT 2
- find the sequence HOT 3
- Can DLKcat parse the smiles including '.' ? HOT 2
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