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Molecular docking, estimating free energies of binding, and AutoDock's semi-empirical force field

I'm an LLM Research Engineer with over a decade of experience in artificial intelligence. My work bridges academia and industry, with roles including senior staff at an AI company and a statistics professor. My expertise lies in LLM research and the development of high-performance AI systems, with a deep focus on practical, code-driven implementations.



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Molecular docking, estimating free energies of binding, and AutoDock's semi-empirical force field

https://sebastianraschka.com/Articles/2014_autodock_energycomps.html

I'm an LLM Research Engineer with over a decade of experience in artificial intelligence. My work bridges academia and industry, with roles including senior staff at an AI company and a statistics professor. My expertise lies in LLM research and the development of high-performance AI systems, with a deep focus on practical, code-driven implementations.



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https://sebastianraschka.com/Articles/2014_autodock_energycomps.html

Molecular docking, estimating free energies of binding, and AutoDock's semi-empirical force field

I'm an LLM Research Engineer with over a decade of experience in artificial intelligence. My work bridges academia and industry, with roles including senior staff at an AI company and a statistics professor. My expertise lies in LLM research and the development of high-performance AI systems, with a deep focus on practical, code-driven implementations.

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