Drug-JEPA: AI-Guided Design of PARP1 Inhibitors and Antifungal Drug Leads

Drug-JEPA approach for designing drug leads for Parp1 inhibitors & antifungal

Objective

• Develop an integrated AI framework to design and experimentally validate PARP1 inhibitor and antifungal drug leads.

Description

• The objective of the project is to develop a framework for de novo drug design that integrates All-atom Molecule Foundation models for learning stable molecular configurations and Omics Foundation model to integrate biological modalities and to also develop leads for cancer target, PARP1, and antifungals using the developed framework.

Impact

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