Comments (3)
Hi @mahatibharadwaj, I think @XuhanLiu might have an updated version somewhere and can tell you more, but I also have some pretrained models in the GenUI app (GUI for molecular generators). You can find them in this folder: https://github.com/martin-sicho/genui/tree/master/src/genui/generators/extensions/genuidrugex/genuimodels/default_models (but note that these were developed to work with DrugEx 1.0 so they might not be compatible with the version you want to use).
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@martin-sicho Thank you for sharing the link for pre-trained Zinc models. I could use them for DrugEx-v1. @XuhanLiu it will be helpful if you can provide the links for pre-trained Zinc and Chembl models that can be used in v2 and v3. Or please do let me know if we can use the same models that were provided by @martin-sicho in GenUI? Thanks
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I am afraid that it is not possible to provide the model publicly because of it big size of model file. If you want it you can send email to me and then I could send it back to you.
Cheers
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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
- 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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