GitHub repository: willy-b/tiny-GIN-for-WNV
Primary language: Jupyter Notebook
Description: (HIGHLY EXPERIMENTAL) Using a tiny GIN graph neural network to predict Active/Inactive status of molecules in PCBA AID 577 "HTS to identify Inhibitors of West Nile Virus NS2bNS3 Proteinase" and AID 588689 "Primary and Confirmatory Screening for Flavivirus Genomic Capping Enzyme Inhibition" (NS5 protein)