no code implementations • 23 Apr 2024 • Yikun Zhang, Geyan Ye, Chaohao Yuan, Bo Han, Long-Kai Huang, Jianhua Yao, Wei Liu, Yu Rong
We design a Hierarchical Adaptive Alignment model to concurrently learn the fine-grained fragment correspondence between two modalities and align these representations of fragments in three levels.
no code implementations • 18 Apr 2024 • Chaohao Yuan, Songyou Li, Geyan Ye, Yikun Zhang, Long-Kai Huang, Wenbing Huang, Wei Liu, Jianhua Yao, Yu Rong
The core challenge of de novo protein design lies in creating proteins with specific functions or properties, guided by certain conditions.
1 code implementation • 28 Dec 2023 • Geyan Ye, Xibao Cai, Houtim Lai, Xing Wang, Junhong Huang, Longyue Wang, Wei Liu, Xiangxiang Zeng
Recently, the impressive performance of large language models (LLMs) on a wide range of tasks has attracted an increasing number of attempts to apply LLMs in drug discovery.
no code implementations • 17 May 2020 • Hehuan Ma, Yatao Bian, Yu Rong, Wenbing Huang, Tingyang Xu, Weiyang Xie, Geyan Ye, Junzhou Huang
Guided by this observation, we present Multi-View Graph Neural Network (MV-GNN), a multi-view message passing architecture to enable more accurate predictions of molecular properties.