2 papers
cs.AI2026
What an Autonomous Agent Discovers About Molecular Transformer Design: Does It Transfer?
Edward Wijaya
Deep learning models for drug-like molecules and proteins overwhelmingly reuse transformer architectures designed for natural language, yet whether molecular sequences benefit from…
q-bio.QM2026
Beyond SMILES: Evaluating Agentic Systems for Drug Discovery
Edward Wijaya
Agentic systems for drug discovery have demonstrated autonomous synthesis planning, literature mining, and molecular design. We ask how well they generalize. Evaluating six framewo…