Command Line Interface

DGL-LifeSci provides command line interfaces that allow users to perform modeling without any background in programming and deep learning. In addition to installation, you will need to clone the github repo with

git clone https://github.com/awslabs/dgl-lifesci.git

Molecular Property Prediction

Go to the directory below with

cd dgl-lifesci/examples/property_prediction/csv_data_configuration/

and then follow the README file.

Reaction Prediction

Go to the directory below with

cd dgl-lifesci/examples/reaction_prediction/rexgen_direct/

and then follow the README file.