46 citations · 75 across the 26 of their papers we have counts for
7 papers · 1 filter
MemNovo: Look Back at the Spectrum for Balanced De Novo Peptide Sequencing from Mass Spectrometry
Dongxin Lyu, Jingbo Zhou, Hongxin Xiang +2
De novo peptide sequencing from tandem mass spectrometry is pivotal in proteomics, enabling identification of novel peptides without reference databases. While recent Transformer-b…
InertialAR: Autoregressive 3D Molecule Generation with Inertial Frames
Haorui Li, Weitao Du, Yuqiang Li +2
Transformer-based autoregressive models have emerged as a unifying paradigm across modalities such as text and images, but their extension to 3D molecule generation remains underex…
CMPhysBench: A Benchmark for Evaluating Large Language Models in Condensed Matter Physics
Weida Wang, Dongchen Huang, Jiatong Li +32
We introduce CMPhysBench, designed to assess the proficiency of Large Language Models (LLMs) in Condensed Matter Physics, as a novel Benchmark. CMPhysBench is composed of more than…
CheMatAgent: Enhancing LLMs for Chemistry and Materials Science through Tree-Search Based Tool Learning
Mengsong Wu, YaFei Wang, Yidong Ming +7
Large language models (LLMs) have recently demonstrated promising capabilities in chemistry tasks while still facing challenges due to outdated pretraining knowledge and the diffic…
ChemMLLM: Chemical Multimodal Large Language Model
Qian Tan, Di Zhang, Dongzhan Zhou +8
Recent years have seen rapid progress in multimodal large language models (MLLMs) in the field of chemistry. However, chemical MLLMs that can handle cross-modal understanding and g…
CrystalX: High-accuracy Crystal Structure Analysis Using Deep Learning
Kaipeng Zheng, Weiran Huang, Wanli Ouyang +2
Atomic structure analysis of crystalline materials is a paramount endeavor in both chemical and material sciences. This sophisticated technique necessitates not only a solid founda…
ChemVLM: Exploring the Power of Multimodal Large Language Models in Chemistry Area
Junxian Li, Di Zhang, Xunzhi Wang +16
Large Language Models (LLMs) have achieved remarkable success and have been applied across various scientific fields, including chemistry. However, many chemical tasks require the…