Streamlining a National Flood Assessment using a Flow Scheduler by eRNZ Admin (6438486)

Datasets and Trajectories for Online Test-time Adaptation for Better Generalization of Interatomic Potentials to Out-of-distribution Data by Cui Taoyong (18076012)

“…The MD simulations for evaluating the performance of TAIP are conducted using the Atomic Simulation Environment (ASE) Python library. SchNet and PaiNN are used, respectively, as the baseline models to produce the potential energy and interatomic forces. …”