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News/Generating Developable 3D Molecules via Pocket-Conditioned Diffusion and Property-Aware Optimization
arxiv
PublishedJuly 15, 2026 at 4:00 AM

Generating Developable 3D Molecules via Pocket-Conditioned Diffusion and Property-Aware Optimization

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arXiv:2607.12349v1 Announce Type: new Abstract: Drug discovery and development is time-consuming and resource-intensive, motivating computational approaches such as diffusion models for de novo drug design. Many such models follow the structure-based drug design (SBDD) paradigm, generating molecules

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