Universal Differential Equations (UDEs) combine mechanistic differential equations with data-driven artificial neural networks, forming a flexible framework for modelling complex biological systems.

Governing equations in the form of ordinary and partial differential equations are valuable models for physical systems. However they can be difficult to derive, making them unknown, particularly for ...

Molecular dynamics (MD) simulation is a key tool in drug discovery for predicting protein-ligand binding affinities, transport properties, and pocket dynamics. While advances in numerical and machine ...