508 citations · 1k across the 48 of their papers we have counts for
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cs.CE2025
Chem-R: Learning to Reason as a Chemist
Weida Wang, Benteng Chen, Di Zhang +14
Although large language models (LLMs) have significant potential to advance chemical discovery, current LLMs lack core chemical knowledge, produce unreliable reasoning trajectories…
cs.CE2022★ 58 cited
Sample Efficiency Matters: A Benchmark for Practical Molecular Optimization
Wenhao Gao, Tianfan Fu, Jimeng Sun +1
Molecular optimization is a fundamental goal in the chemical sciences and is of central interest to drug and material design. In recent years, significant progress has been made in…