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.
A generative model for molecular distance geometry.arXiv preprint arXiv:1909.11459, 2019
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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.