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cs.CL2025★ 2 cited
Automating MD simulations for Proteins using Large language Models: NAMD-Agent
Achuth Chandrasekhar, Omid Barati Farimani, Amir Barati Farimani
Molecular dynamics (MD) simulations are essential for understanding protein structure, dynamics, and function, but preparing, running, and analyzing simulations remains time-consum…
cs.CL2025★ 1 cited
NANOGPT: A Query-Driven Large Language Model Retrieval-Augmented Generation System for Nanotechnology Research
Achuth Chandrasekhar, Omid Barati Farimani, Olabode T. Ajenifujah +2
This paper presents the development and application of a Large Language Model Retrieval-Augmented Generation (LLM-RAG) system tailored for nanotechnology research. The system lever…