Bin Shao - Publications, H-index & Citations

Bin Shao

peking university

19H指数

67论文数

2.3K被引数

收录论文 12

发表时间

Thermodynamics-Guided Machine Learning Framework with a Multiobjective Optimizer for Catalyst Discovery

ACS CATALYSIS

IF13.1

2026-01-01

PREAI

Tan, Zhenfeng; Zhu, Yuanming; Shao, Bin; Qian, Feng; Hu, Jun

Overcoming the barrier of orbital-free density functional theory for molecular systems using deep learning

NATURE COMPUTATIONAL SCIENCE

IF18.3

2024-03-11

PREAI

Zhang, He; Liu, Siyuan; You, Jiacheng; Liu, Chang; Zheng, Shuxin; Lu, Ziheng; Wang, Tong; Zheng, Nanning; Shao, Bin

Enhancing geometric representations for molecules with equivariant vector-scalar interactive message passing 通过等变矢量标量交互式消息传递增强分子的几何表示

NATURE COMMUNICATIONS

IF15.7

2024-01-05

OAAI

Wang, Yusong; Wang, Tong; Li, Shaoning; He, Xinheng; Li, Mingyu; Wang, Zun; Zheng, Nanning; Shao, Bin; Liu, Tie-Yan

CREaTor: zero-shot cis-regulatory pattern modeling with attention mechanisms 创建者: 具有注意力机制的零射击顺式调节模式建模

GENOME BIOLOGY

IF9.4

2023-11-23

OAAI

Li, Yongge; Ju, Fusong; Chen, Zhiyuan; Qu, Yiming; Xia, Huanhuan; He, Liang; Wu, Lijun; Zhu, Jianwei; Shao, Bin; Deng, Pan

OAG: Linking Entities Across Large-Scale Heterogeneous Knowledge Graphs

IEEE TRANSACTIONS ON KNOWLEDGE AND DATA ENGINEERING

IF10.4

2023-09-01

PREAI

Zhang, Fanjin; Liu, Xiao; Tang, Jie; Dong, Yuxiao; Yao, Peiran; Zhang, Jie; Gu, Xiaotao; Wang, Yan; Kharlamov, Evgeny; Shao, Bin; Li, Rui; Wang, Kuansan

Improving machine learning force fields for molecular dynamics simulations with fine-grained force metrics

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-07-17

PREAI

Wang, Zun; Wu, Hongfei; Sun, Lixin; He, Xinheng; Liu, Zhirong; Shao, Bin; Wang, Tong; Liu, Tie-Yan

DSN-DDI: an accurate and generalized framework for drug-drug interaction prediction by dual-view representation learning

BRIEFINGS IN BIOINFORMATICS

IF7.7

2023-01-02

PREAI

Li, Zimeng; Zhu, Shichao; Shao, Bin; Zeng, Xiangxiang; Wang, Tong; Liu, Tie-Yan

Neurally-Guided Semantic Navigation in Knowledge Graph

IEEE TRANSACTIONS ON BIG DATA

IF5.7

2022-06-01

PREAI

He, Liang; Shao, Bin; Xiao, Yanghua; Li, Yatao; Liu, Tie-Yan; Chen, Enhong; Xia, Huanhuan

Improved drug-target interaction prediction with intermolecular graph transformer 用分子间图转换器改进药物-靶标相互作用预测

BRIEFINGS IN BIOINFORMATICS

IF7.7

2022-05-05

OAAI

Liu, Siyuan; Wang, Yusong; Deng, Yifan; He, Liang; Shao, Bin; Yin, Jian; Zheng, Nanning; Liu, Tie-Yan; Wang, Tong

Structural insights into the SARS-CoV-2 Omicron RBD-ACE2 interaction

CELL RESEARCH

IF25.9

2022-04-13

OAAI

Lan, Jun; He, Xinheng; Ren, Yifei; Wang, Ziyi; Zhou, Huan; Fan, Shilong; Zhu, Chenyou; Liu, Dongsheng; Shao, Bin; Liu, Tie-Yan; Wang, Qisheng; Zhang, Linqi; Ge, Jiwan; Wang, Tong; Wang, Xinquan

CopulaNet: Learning residue co-evolution directly from multiple sequence alignment for protein structure prediction

NATURE COMMUNICATIONS

IF15.7

2021-05-05

OAAI

Ju, Fusong; Zhu, Jianwei; Shao, Bin; Kong, Lupeng; Liu, Tie-Yan; Zheng, Wei-Mou; Bu, Dongbo

An efficient heuristic for broadcasting in networks

JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING

IF4

2006-01-01

PREAI

Harutyunyan, HA; Shao, B

研究方向