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DMol: A Highly Efficient and Chemical Motif-Preserving Molecule Generation Platform

arXiv — cs.LG•Tuesday, November 4, 2025 at 5:00:00 AM
PositiveArtificial Intelligence
The introduction of DMol, a new graph diffusion model for small molecule generation, marks a significant advancement in the field. It not only surpasses the previous DiGress model by improving validity by 1.5% across various datasets but also streamlines the process by reducing diffusion steps and cutting running time in half. This innovation is crucial as it enhances efficiency in molecular design, potentially accelerating drug discovery and other applications in chemistry.
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