XMR: An Explainable Multimodal Neural Network for Drug Response Prediction

Implementation of XMR as described in the paper "XMR: An Explainable Multimodal Neural Network for Drug Response Prediction"

Requirements

Networks have been implemented in Python 3.8 with the following packages:

• PyTorch
• networkx
• RDKit
• scikit-learn
• numpy

Usage

To train an XMR model, follow these simple steps:

Clone our repository:

git clone https://github.com/zwa2/XMR.git

Load submodules:

git submodule update --init --recursive

Train the XMR model using the provided pathway:

sh train.sh

Improve the performance and reduce the model size by pruning the well-trained XMR model:

sh prune.sh

Additionally, you can modify the model's hyperparameters as described in train.sh and prune.sh.