MolLean checks chemical reasoning against an explicit molecular state
On 8,800 examples and 12 tasks, Qwen3.6-27B whole-trace refinement beat direct chain-of-thought on every task.
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Stories tagged #molecular-generation
Higher-Order Molecular Grammars for Generative and Foundation Models in Chemistry
Higher-order grammar sequences let molecular models encode ring topology with 100% validity and stronger MoleculeNet transfer.
Learning to Re-Draft: A Variational Stackelberg Game for Discrete Diffusion
VSDD learns a corruption process so discrete diffusion models can re-draft tokens more effectively.