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cs.LG2025
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…
cs.LG2024★ 5 cited
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…
cs.LG2022★ 2 cited
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…