4 papers
OXtal: An All-Atom Diffusion Model for Organic Crystal Structure Prediction
Emily Jin, Andrei Cristian Nica, Mikhail Galkin +8
Accurately predicting experimentally realizable 3D molecular crystal structures from their 2D chemical graphs is a long-standing open challenge in computational chemistry called cr…
On fine-tuning Boltz-2 for protein-protein affinity prediction
James King, Lewis Cornwall, Andrei Cristian Nica +5
Accurate prediction of protein-protein binding affinity is vital for understanding molecular interactions and designing therapeutics. We adapt Boltz-2, a state-of-the-art structure…
Incremental Sequence Classification with Temporal Consistency
Lucas Maystre, Gabriel Barello, Tudor Berariu +5
We address the problem of incremental sequence classification, where predictions are updated as new elements in the sequence are revealed. Drawing on temporal-difference learning f…
Toward Autonomous UI Exploration: The UIExplorer Benchmark
Andrei Cristian Nica, Akshaya Vishnu Kudlu Shanbhogue, Harshil Shah +4
Autonomous agents must know how to explore user interfaces (UIs) for reliable task solving, yet systematic evaluation of this crucial phase is lacking. We introduce UIExplore-Bench…