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skills and familiarity with LLM APIs (e.g., OpenAI API), agent frameworks (e.g. LangChain), PyTorch, and the Python scientific stack (e.g., numpy, pandas, scikit-learn). Experience with front-end
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developing LLM-based applications using Python APIs. Experience with large scale molecular dynamics (MD) packages e.g. lammps Experience with version control (e.g., Git) and collaborative software development
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