Examples

1a. Protein Property Prediction

Given a new target sequence (e.g. SARS-CoV2 3CL Protease), retrieve a list of repurposing drugs from a curated drug library of 81 antiviral drugs. The Binding Score is the Kd values. Results aggregated from five pretrained model on BindingDB dataset!

from DeepPurpose import oneliner
oneliner.repurpose(*load_SARS_CoV2_Protease_3CL(), *load_antiviral_drugs())