AI Networking Cookbook: Practical recipes for AI-assisted network automation and development
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QALPA ("Quantum-Aware Learning for Property-space Augmentation"), a property-guided generative framework that combines an E(3)-equivariant diffusion model with active learning and efficient quantum-mechanical methods to iteratively explore targeted QM property manifolds, is introduced.
FLOWR.root is presented, an SE(3)-equivariant flow-matching framework that jointly generates high-quality 3D ligands and predicts multi-endpoint binding affinities, demonstrating state-of-the-art performance, efficient domain adaptation, and practical impact across de novo design, scaffold elaboration, and lead optimiz...
Flowr.root achieves state-of-the-art performance in both unconditional 3D molecule and pocket-conditional ligand generation, producing geometrically realistic, low-strain structures with computational efficiency on established benchmark datasets.
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