Large language models exhibit distinct creative patterns in molecule generation, including higher constraint satisfaction when more constraints are added, and this is the first work to reframe molecule generation abilities as creativity.
arXiv preprint arXiv:1905.13372 , year=
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2026 3verdicts
UNVERDICTED 3representative citing papers
EQUIMF is a unified equivariant framework that jointly generates discrete topologies and continuous geometries in molecular graphs via synchronized MeanFlow dynamics for efficient few-step sampling.
A novel CVAE with mixture scheduling achieves fine-grained structural control in graph generation, showing high quality and controllability on five datasets.
citing papers explorer
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How Creative Are Large Language Models in Generating Molecules?
Large language models exhibit distinct creative patterns in molecule generation, including higher constraint satisfaction when more constraints are added, and this is the first work to reframe molecule generation abilities as creativity.
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Equivariant Efficient Joint Discrete and Continuous MeanFlow for Molecular Graph Generation
EQUIMF is a unified equivariant framework that jointly generates discrete topologies and continuous geometries in molecular graphs via synchronized MeanFlow dynamics for efficient few-step sampling.
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Fine-Grained Graph Generation through Latent Mixture Scheduling
A novel CVAE with mixture scheduling achieves fine-grained structural control in graph generation, showing high quality and controllability on five datasets.