Comments (2)
XuhanLiu
commented on August 17, 2024
I am very happy that you are interested in my project. This paper will be accepted by Journal of Cheminformatics soon. Frankly speaking, it is not easy to provide the detailed instructions for my work. But if you meet some problems when you use it, please do not hesitate to contact with me. I will try my best to help you as soon as possible.
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XuhanLiu
commented on August 17, 2024
By the way, the version 3 will be released soon. It is more fantastic model that the previous version. I hope you can look forward to it a little bit.
from drugex.
Related Issues (20)
- Package code and make pip installable HOT 1
- Error module 'rdkit.Chem' has no attribute 'MolFromSimles' HOT 4
- 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
- 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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