FlashMol produces chemically valid 3D molecules in 4 steps via distribution matching distillation with respaced timesteps and Jensen-Shannon regularization, matching or exceeding 1000-step teacher performance on QM9 and GEOM-DRUG.
Straight-line diffusion model for efficient 3d molecular generation
2 Pith papers cite this work. Polarity classification is still indexing.
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UCD adjusts diffusion-based 3D molecular graph generation to handle epistemic uncertainty, improving sample quality and reaching new benchmark performance.
citing papers explorer
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FlashMol: High-Quality Molecule Generation in as Few as Four Steps
FlashMol produces chemically valid 3D molecules in 4 steps via distribution matching distillation with respaced timesteps and Jensen-Shannon regularization, matching or exceeding 1000-step teacher performance on QM9 and GEOM-DRUG.
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Uncertainty-Calibrated Diffusion for Reliable 3D Molecular Graph Generation
UCD adjusts diffusion-based 3D molecular graph generation to handle epistemic uncertainty, improving sample quality and reaching new benchmark performance.