A single decoder-only model generates prompt-conditioned retrosynthetic routes and shows measurable gains on depth and required-leaf constraints in the RetroCast/PaRoutes benchmarks while releasing its code.
The syntax of matter: Synthesis planning as the foundation of generative chemistry.ChemRxiv, 2026(0421), 2026
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A review of classical and AI-assisted methods for modeling chemical disorder in atomistic simulations of alloys and complex materials.
A review of generative AI for inverse design of inorganic compounds, analyzing adaptations for their complexity in composition, geometry, symmetry, and electronic structure, with discussion of future benchmarks and synthesizability metrics.
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Project Ariadne: Prompt-Conditioned Route Generation for Synthesis Planning
A single decoder-only model generates prompt-conditioned retrosynthetic routes and shows measurable gains on depth and required-leaf constraints in the RetroCast/PaRoutes benchmarks while releasing its code.