Hossam Ashtawy

Hi there! I’m Hossam Ashtawy, a machine learning scientist working at the intersection of AI and drug discovery. My focus is on predictive and generative modeling of protein-ligand interactions, molecular property optimization, and drug design.

At my current role, I lead AI/ML efforts in structure-based drug discovery, developing deep learning models for de novo molecule design, property prediction, metastable-state sampling, and large-scale screening. I’m also interested in modeling ADMET properties and PK/PD to improve predictions of drug behavior in the body.

I enjoy working with biochemical data, enhancing model accuracy and generalizability, and optimizing distributed computing workflows.

If you’re tackling similar challenges or exploring ways to advance AI-driven drug discovery, let’s connect.