This code is supplementary to Venkateswaran, A., Sankar, A., Chandrasekhar, A. G., & McCormick, T. H. (2024). Robustly estimating heterogeneity in factorial data ...
Hybrid LLM + Diffusion Framework: Integrates LLMs for discrete predictions with equivariant diffusion models for continuous structural refinement. Two-Stage Generation: LLM proposes atom types, ...
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