BIB | Molormer: A Lightweight Self-Attention-Based Method Focused on Spatial Structure of Molecular Graph for Drug-Drug Interactions Prediction

This repository contains the source code of Molormer (https://doi.org/10.1093/bib/bbac296).

Setup

A conda environment can be created with

conda create --name molormer python=3.7

conda activate molegent

conda update -n base conda

conda env create -f environment.yaml

Training

python train.py

Predicting

python predict.py