GO-Flow applies manifold decomposition to flow matching for molecular conformations by separating translation, SO(3) rotation, and conformation spaces.
Efficient molecular conformer generation with so (3)-averaged flow matching and reflow
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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.
citing papers explorer
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Geometric Flow Matching for Molecular Conformation Generation via Manifold Decomposition
GO-Flow applies manifold decomposition to flow matching for molecular conformations by separating translation, SO(3) rotation, and conformation spaces.
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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.