Tingyang Xu

An adaptive autoregressive diffusion approach to design active humanized antibody and nanobody

This paper introduces HuDiff, a diffusion model for humanizing antibodies and nanobodies, showing improved similarity to experimentally humanized sequences and enhanced binding affinity.

Fast and accurate modeling and design of antibody-antigen complex using tFold

This paper introduces tFold-Ab and tFold-Ag for fast and accurate prediction of antibody and antibody-antigen complex structures, showing improved speed and performance over AlphaFold-Multimer.

A dual diffusion model enables 3D binding bioactive molecule generation and lead optimization given target pockets

This paper introduces PMDM, a dual diffusion model for generating 3D bioactive molecules and optimizing leads for specific protein targets.

Molecular Graph Enhanced Transformer for Retrosynthesis Prediction

This paper introduces a Graph Enhanced Transformer model for retrosynthesis prediction, achieving better performance than a vanilla Transformer by incorporating molecular graph information.