AI-for-Science Systems (AIS²) Lab

Welcome to AIS² Lab

Welcome to the AI-for-Science Systems Lab! We're working at the forefront ML/AI to solve complex scientific challenges, from computational chemistry/physics to biophysics and drug discovery.

Our Focus Areas:

  • Development of Novel Neural Networks Architectures
  • Computational Drug Discovery
  • RAG for Materials Discovery
  • AI-Driven Solutions

News

Featured

Meet MolXProt: A Fresh Way to Predict How Drugs Bind

Meet MolXProt: A Fresh Way to Predict How Drugs Bind

MATCSSI: Opening the Quantum Toolbox for Everyone

MATCSSI: Opening the Quantum Toolbox for Everyone