New AI models for predicting binding affinity—exemplified by Boltz‑2—and advances in digital‑twin technologies are accelerating drug discovery and industrial bioprocessing. Boltz‑2 delivers fast, accurate binding‑affinity predictions, potentially reducing reliance on resource‑heavy free‑energy simulations. Concurrently, digital twins are expanding beyond process development into real‑time manufacturing control, predictive reliability, and rapid prototyping across biopharma operations. Firms report reduced impurity levels and drastically shortened process times by validating changes in silico before scaling. Together, computational chemistry and digital twin adoption are compressing discovery timelines and improving manufacturing predictability, though integration with experimental pipelines and regulatory acceptance remain ongoing challenges.