MolP2SBench: Do LLMs Really Reason from Molecular Properties to Structure?
physics.chem-ph, cs.LG
Submitted: 2026-10-08
Updated: 2026-10-08
Code: https://github.com/DUAL-Xiao/MolP2SBench
Sources
- From Answers to States: Verifiable Process-Level Evaluation of Chemical Reasoning in Large Language Models
- MolQuest: A Benchmark for Agentic Evaluation of Abductive Reasoning in Chemical Structure Elucidation
- C5T5: Controllable Generation of Organic Molecules with Transformers
- SpecX: A Large-Scale Benchmark for Multi-Modal Spectroscopy and Cross-Paradigm Evaluation
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