Comments (2)
Hi @SaraiQX, maybe a little late, but you can also try the revamped version of DrugEx we are working on here: https://github.com/CDDLeiden/DrugEx. It should be a bit easier to use and also has some comprehensive tutorials. Let us know if you have any more questions.
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Hi @SaraiQX,
Thanks for having interest with my works. I noticed that TgtData is useless. Therefore I have removed this class. If you want to try the latest version. I strongly recommend you to you intalled version in https://github.com/CDDLeiden/DrugEx as @martin-sicho mentioned.
Cheers,
Xuhan
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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.
- miss file /data/chembl_voc.txt HOT 3
- `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
- 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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