Lixue Cheng

1. Evaluating Large Language Models in Scientific Discovery
   2025/12/17 by Zhangde Song, Song, Zhangde, Jieyu Lu +109 · 18 voices · 2 citations
   Materials Science · Medicine · Social Sciences · #Machine Learning in Materials Science #Artificial Intelligence in Healthcare and Education #Computational and Text Analysis Methods
2. An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking
   2025/06/24 by Adam Foster, Foster, Adam, Zeno Schätzle +17 · 2 voices · 13 citations
   Chemistry · Computer Science · #Molecular spectroscopy and chirality #Computational Drug Discovery Methods #Inorganic and Organometallic Chemistry
3. ODBO: Bayesian Optimization with Search Space Prescreening for Directed Protein Evolution
   2022/05/19 by Lixue Cheng, Cheng, Lixue, Ziyi Yang +7 · 2 citations
   Biochemistry, Genetics and Molecular Biology · #Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Protein Structure and Dynamics #Quantitative Methods (q-bio.QM) #RNA and protein synthesis mechanisms #vaccines and immunoinformatics approaches