XuhanLiu / DrugEx

Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology
MIT License
189 stars 66 forks source link

Link to Dataset. #15

Open BakingBrains opened 2 years ago

BakingBrains commented 2 years ago

Greetings,

Thanks for the great work. Can you please provide the links to the dataset or the files which are used in dataset.py. Because if I run the dataset.py with the collected files, it is throwing missing file error. FileNotFoundError: [Errno 2] No such file or directory: 'D:/pycharmprojects/Drugg_Disc/data/ligand_mf_brics.txt'

Thanks