AI Networking Cookbook: Practical recipes for AI-assisted network automation and development
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As generative models and AI agents propose chemical reactions at a scale beyond expert review, feasibility verifiers decide which proposals enter synthesis planning. But do their decisions agree with chemists across different kinds of candidates? We introduce FREA, a benchmark of 751 reactions labeled by expert chemist...
MMORF is presented, a framework for constructing language model-based multi-agent systems (MAS) for multi-objective retrosynthesis planning that achieves strong safety and cost metrics on soft-constraint tasks, frequently Pareto-dominating baseline routes, and outperforming state-of-the-art baselines.
RIDE, a Reference-anchored Inference-time Diffusion Editing framework for scaffold hopping, is introduced and demonstrates its ability to generate distinct scaffolds with different structures and properties, and its ability to introduce substantial 2D variation while maintaining very high 3D similarity.
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 to fit a target binding pocket. However, existing diffusion-based S...
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