MotiFlow generates 3D molecules from rigid motifs via joint SE(3) flow, accepted at NeurIPS
madeofAjala · x · 2026-11-15
- Problem: 3D molecule generators waste capacity learning rigid fragments (e.g. benzene rings) atom by atom.
- Method: MotiFlow generates molecules directly from rigid motifs, running one joint flow over motif types and their SE(3) poses.
- Status: Accepted at NeurIPS, authored with Marcel Kollovieh, ESEberhard, and guennemann.
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