Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Accurately modeling chemical reactions in molecular dynamics simulations requires ...

Improving drug discovery efficiency is a core and long-standing challenge in drug discovery. For this purpose, many graph learning methods have been developed to search potential drug candidates with ...

Retrieval-augmented generation (RAG) technology can empower large language models (LLMs) to generate more accurate, professional, and timely responses without fine-tuning. However, due to the complex ...