MolViBench is the first benchmark designed to evaluate LLMs on generating executable programs for molecular tasks in drug discovery.
Journal of chemical information and modeling , volume=
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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.
citing papers explorer
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MolViBench: Evaluating LLMs on Molecular Vibe Coding
MolViBench is the first benchmark designed to evaluate LLMs on generating executable programs for molecular tasks in drug discovery.
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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.