SubCDR
Source code and data for "A subcomponent-guided deep learning method for interpretable cancer drug response prediction"
Requirements
- Python >= 3.7
- PyTorch >= 1.5
- PyTorch Geometry >= 1.6
- hickle >= 3.4
- DeepChem >= 2.4
- RDkit >= 2020.09
Usage
- python main_cv.py \<parameters> #---Regression task with 5-fold CV
- python main_independent.py \<parameters> #---Independent testing with 9(traing):1(testing) split of the dataset
- python main_classify.py \<parameters> #---Binary classification task with IC50 values