24 citations · 51 across the 12 of their papers we have counts for
6 papers · 1 filter
ProteinAE: Protein Diffusion Autoencoders for Structure Encoding
Shaoning Li, Le Zhuo, Yusong Wang +5
Developing effective representations of protein structures is essential for advancing protein science, particularly for protein generative modeling. Current approaches often grappl…
Tokenizing 3D Molecule Structure with Quantized Spherical Coordinates
Kaiyuan Gao, Yusong Wang, Haoxiang Guan +5
The application of language models (LMs) to molecular structure generation using line notations such as SMILES and SELFIES has been well-established in the field of cheminformatics…
Neural PM: A Long-Range Interaction Modeling Enhancer for Geometric GNNs
Yusong Wang, Chaoran Cheng, Shaoning Li +5
Geometric graph neural networks (GNNs) have emerged as powerful tools for modeling molecular geometry. However, they encounter limitations in effectively capturing long-range inter…
Improving AlphaFlow for Efficient Protein Ensembles Generation
Shaoning Li, Mingyu Li, Yusong Wang +4
Investigating conformational landscapes of proteins is a crucial way to understand their biological functions and properties. AlphaFlow stands out as a sequence-conditioned generat…
An ensemble of VisNet, Transformer-M, and pretraining models for molecular property prediction in OGB Large-Scale Challenge @ NeurIPS 2022
Yusong Wang, Shaoning Li, Zun Wang +4
In the technical report, we provide our solution for OGB-LSC 2022 Graph Regression Task. The target of this task is to predict the quantum chemical property, HOMO-LUMO gap for a gi…
Improved Drug-target Interaction Prediction with Intermolecular Graph Transformer
Siyuan Liu, Yusong Wang, Tong Wang +6
The identification of active binding drugs for target proteins (termed as drug-target interaction prediction) is the key challenge in virtual screening, which plays an essential ro…