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Yufeng Su

6 accepted papers

2023

3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction

ICLR 2023poster

Rich data and powerful machine learning models allow us to design drugs for a specific protein target <em>in silico</em>. Recently, the inclusion of 3D structures during targeted drug design shows superior performance to other target-free models as the atomic interaction in the 3D space is explicitl…

2023

Rapid Grasping of Fabric Using Bionic Soft Grippers with Elastic Instability

IROS 2023poster

Robot grasping is subject to an inherent tradeoff: Grippers with a large span typically take a longer time to close, and fast grippers usually cover a small span. However, many practical applications of grippers require the ability to close a large distance rapidly. For example, grasping cloth typic…

Cited by 5SourceScholar
2023

Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction

ICLR 2023poster

Protein-protein interactions are crucial to many biological processes, and predicting the effect of amino acid mutations on binding is important for protein engineering. While data-driven approaches using deep learning have shown promise, the scarcity of annotated experimental data remains a major c…

Cited by 18SourcePDFScholar
2022

Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures

NeurIPS 2022accept

Antibodies are immune system proteins that protect the host by binding to specific antigens such as viruses and bacteria. The binding between antibodies and antigens is mainly determined by the complementarity-determining regions (CDR) of the antibodies. In this work, we develop a deep generative mo…

Cited by 244SourcePDFScholar
2022

Equivariant Point Cloud Analysis via Learning Orientations for Message Passing

CVPR 2022oral

Equivariance has been a long-standing concern in various fields ranging from computer vision to physical modeling. Most previous methods struggle with generality, simplicity, and expressiveness --- some are designed ad hoc for specific data types, some are too complex to be accessible, and some sacr…

Cited by 45PDFcodeScholar