EnFlow integrates flow-based conformer generation with energy landscape modeling to enable joint ensemble generation and ground-state identification using only 1-2 ODE steps.
First-order conditions for optimization in the wasserstein space.SIAM Journal on Mathematics of Data Science, 7(1):274–300, 2025
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Energy-Guided Generative Modeling for Low-Energy Molecular Structure Discovery
EnFlow integrates flow-based conformer generation with energy landscape modeling to enable joint ensemble generation and ground-state identification using only 1-2 ODE steps.