Rupan
Sunderapandyan

I'm a junior at UW-Madison double majoring in Chemistry and Computer Science.

My interests lie at the intersections of chemistry, machine learning, and systems engineering.

Building production cheminformatics tools for CAS analysts working with literature-derived chemical structures, improving optical structure recognition datasets with CVAT annotations, and implementing stereochemistry-aware editing commands across SMILES, MOL, and molecular graph workflows.

Implementing deep learning pipelines in PyTorch Geometric using Equivariant GNNs, VAMPnets, and novel transition state search algorithms to study complex protein dynamics.

Developed an optimization model in Julia and Python to solve mass-balance constraints for a multi-stage bioreactor network.