Search Results for author: Yangtian Zhang

Found 4 papers, 3 papers with code

DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing

1 code implementation • NeurIPS 2023 • Yangtian Zhang, Zuobai Zhang, Bozitao Zhong, Sanchit Misra, Jian Tang

In this work, we present DiffPack, a torsional diffusion model that learns the joint distribution of side-chain torsional angles, the only degrees of freedom in side-chain packing, by diffusing and denoising on the torsional space.

Denoising Protein Structure Prediction

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E3Bind: An End-to-End Equivariant Network for Protein-Ligand Docking

no code implementations • 12 Oct 2022 • Yangtian Zhang, Huiyu Cai, Chence Shi, Bozitao Zhong, Jian Tang

In silico prediction of the ligand binding pose to a given protein target is a crucial but challenging task in drug discovery.

Drug Discovery Protein Structure Prediction

Paper
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PEER: A Comprehensive and Multi-Task Benchmark for Protein Sequence Understanding

1 code implementation • 5 Jun 2022 • Minghao Xu, Zuobai Zhang, Jiarui Lu, Zhaocheng Zhu, Yangtian Zhang, Chang Ma, Runcheng Liu, Jian Tang

However, there is a lack of a standard benchmark to evaluate the performance of different methods, which hinders the progress of deep learning in this field.

Feature Engineering Multi-Task Learning +2

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TorchDrug: A Powerful and Flexible Machine Learning Platform for Drug Discovery

1 code implementation • 16 Feb 2022 • Zhaocheng Zhu, Chence Shi, Zuobai Zhang, Shengchao Liu, Minghao Xu, Xinyu Yuan, Yangtian Zhang, Junkun Chen, Huiyu Cai, Jiarui Lu, Chang Ma, Runcheng Liu, Louis-Pascal Xhonneux, Meng Qu, Jian Tang

However, lacking domain knowledge (e. g., which tasks to work on), standard benchmarks and data preprocessing pipelines are the main obstacles for machine learning researchers to work in this domain.

BIG-bench Machine Learning Drug Discovery +2

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