Molecular docking predicts how a small molecule binds to a protein and is a key bottleneck in drug discovery. Classical scoring functions sum empirical pairwise contacts, blind to quantum-mechanical effects like orbital charge transfer that govern binding specificity. We introduc…
Compiler missed optimizations refer to cases in which compilers failed to optimize certain code. It takes many compiler developers' efforts to implement or patch such missed optimizations. In this paper, we present a systematic study of how well agents patch compiler missed optim…
Evaluating the productivity contribution of individual fracturing stages in deep coalbed methane (CBM) horizontal wells remains a critical challenge, hindering the optimization of stimulation designs. This study systematically integrates dual-phase (aqueous and gaseous) fracturin…