XNA-hub serves as a comprehensive global database and molecular modeling platform aimed at streamlining nucleic acids research. It consolidates computational parameters for investigating DNAs, RNAs, XNAs, and their complexes while establishing international standards for computations and modeling. Utilizing machine learning on extensive experimentally-generated datasets, it predicts plasticity, structural, and thermodynamic properties, as well as RNAseH/Dicer/AGO2 compatibility and tolerance. This meticulously curated resource offers flexibility, scalability, and adaptability to meet pharmaceutical high-throughput demands. By harnessing XNA-hub, researchers and developers can unlock new potentials, accelerate advancements, and optimize research and development processes, thus contributing to the field's acceleration and optimization.