The study presented at NeurIPS 2023’s Generative AI and Biology workshop focuses on converting 2D molecular structures into 3D conformations using a novel, scalable diffusion model on Riemannian Manifolds, achieving competitive results without assuming molecule structure.
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Our latest research, presented at the prestigious Generative AI and Biology workshop at NeurIPS 2023, introduces an innovative method to create 3D molecular structures from 2D designs. This approach is not only straightforward and adaptable but also matches the best in the field without relying on predefined molecular structures.
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