Comments (3)
Hi @annie20220104, I am not sure which model you are trying to train/use, but you can find the files in our fork here, which is still work in progress, but adds command line interface and other goodies in the future :)
EDIT: Now I see the files are actually here as well (just the name is maybe different?): https://github.com/XuhanLiu/DrugEx/blob/master/data/voc_smiles.txt
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Thanks for reminding me of this bugs. I have changed it from "chembl_voc.txt" to "voc_smiles.txt".
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Thank you very much @martin-sicho for your kind and quick reply! It seems that somehow the file names in my local folder has a different name from the original names. I can run the code with no problems now. Many thanks!
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Related Issues (20)
- Package code and make pip installable HOT 1
- Error module 'rdkit.Chem' has no attribute 'MolFromSimles' HOT 4
- It will be great if you would like to provide some examples HOT 2
- Running Multitarget with smiles? HOT 3
- DrugEx-1.0 about figure6 HOT 2
- Zinc models HOT 3
- Link to Dataset.
- `environ.py` does not work HOT 1
- UnicodeDecodeError: 'ascii' codec can't decode byte 0x80 in position 63: ordinal not in range(128) HOT 1
- Missing zinc/ folder HOT 1
- how to use or simply start? any example? HOT 1
- NameError: name 'Dataset' is not defined HOT 2
- No utils.canonicalize_list in Drug_ex v2.0 HOT 2
- No such file or directory: 'data/LIGAND_RAW.tsv' HOT 13
- RuntimeError: expected device cuda:0 and dtype Byte but got device cuda:0 and dtype Bool HOT 4
- AttributeError: 'int' object has no attribute 'predict_proba' HOT 2
- Error using designer with the default agent
- Keyerror has been occurred when I run pretrainer.py HOT 4
- MT_DNN HOT 1
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