Section 01
导读 / 主楼:FlexAIDdS: A Modern Flexible AI Molecular Docking Tool to Accelerate Drug R&D Processes
Introduction / Main Floor: FlexAIDdS: A Modern Flexible AI Molecular Docking Tool to Accelerate Drug R&D Processes
This article introduces the FlexAIDdS project, a flexible molecular docking tool redeveloped based on C++26. Integrating AI technology and modern software engineering, it provides an efficient and user-friendly molecular simulation solution for the fields of computational chemistry and drug design.