AI KongMing

AI KongMing (the Data Science KongMing Platform) is a comprehensive AI drug discovery platform developed by the Global Health Drug Discovery Institute (GHDDI), aimed at accelerating innovative drug discovery in global health through artificial intelligence. The platform integrates cheminformatics, bioinformatics, pharmaceutical, and medical data, using data-driven algorithms such as physical modeling, statistical analysis, machine learning, and deep learning, along with foundation large models and expert knowledge, to solve real problems in the drug discovery process through in-house systems and tools.

Key Features

• AI virtual screening: Based on GHDDI's in-house HAG-net deep learning system, it provides AI virtual screening services for infectious diseases such as COVID-19, supporting rapid screening of compound libraries and drug repurposing predictions
• ADMET prediction and evaluation: AI prediction of a drug's absorption, distribution, metabolism, excretion, and toxicity properties, helping assess the developability of candidate drugs
• High-performance computing support: Manages 62 local HPC clusters and over 1 billion biochemical and pharmaceutical data records, supporting large-scale molecular dynamics simulations and free energy calculations
• Multi-model prediction: Integrates ligand-based, structure-based, and network-based AI models for all-around drug design support

Use Cases In infectious disease drug R&D for global health, the AI KongMing platform gives researchers computational support across the whole pipeline, from target identification and compound screening to candidate drug optimization. For example, working with Microsoft Research, GHDDI used generative AI and foundation models to design small-molecule inhibitors against key target proteins of Mycobacterium tuberculosis and coronaviruses in just five months — a process that usually takes years. The platform also played an important role in COVID-19 drug R&D, achieving exponential acceleration of the screening process with high-performance computing resources from Alibaba Cloud.

Unique Advantages The AI KongMing platform is jointly supported by the Gates Foundation, Tsinghua University, and the Beijing municipal government, and focuses on infectious disease drug R&D for global health. It uses the in-house HAG-net deep learning architecture, combining the expertise of an interdisciplinary team (computational chemistry, bioinformatics, computer science, and software engineering) to provide a one-stop solution from data management to AI modeling, driving innovative applications and translation of AI in drug discovery.