2 papers
cs.LG2025
MS-BART: Unified Modeling of Mass Spectra and Molecules for Structure Elucidation
Yang Han, Pengyu Wang, Kai Yu +2
Mass spectrometry (MS) plays a critical role in molecular identification, significantly advancing scientific discovery. However, structure elucidation from MS data remains challeng…
physics.chem-ph2024
From Generalist to Specialist: A Survey of Large Language Models for Chemistry
Yang Han, Ziping Wan, Lu Chen +2
Large Language Models (LLMs) have significantly transformed our daily life and established a new paradigm in natural language processing (NLP). However, the predominant pretraining…