no code implementations • 7 Mar 2024 • Xiangxin Zhou, Xiwei Cheng, Yuwei Yang, Yu Bao, Liang Wang, Quanquan Gu
DecompOpt presents a new generation paradigm which combines optimization with conditional diffusion models to achieve desired properties while adhering to the molecular grammar.
1 code implementation • 26 Feb 2024 • Jiaqi Guan, Xiangxin Zhou, Yuwei Yang, Yu Bao, Jian Peng, Jianzhu Ma, Qiang Liu, Liang Wang, Quanquan Gu
Designing 3D ligands within a target binding site is a fundamental task in drug discovery.
no code implementations • 22 Feb 2024 • Yuwei Yang, Siqi Ouyang, Xueyu Hu, Mingyue Zheng, Hao Zhou, Lei LI
We develop a novel 3D graph editing model to generate molecules using fragments, and pre-train this model on abundant 3D ligands for learning target-independent properties.
1 code implementation • 15 Jan 2024 • Zhilin Huang, Ling Yang, Zaixi Zhang, Xiangxin Zhou, Yu Bao, Xiawu Zheng, Yuwei Yang, Yu Wang, Wenming Yang
Then the selected protein-ligand subcomplex is processed with SE(3)-equivariant neural networks, and transmitted back to each atom of the complex for augmenting the target-aware 3D molecule diffusion generation with binding interaction information.
1 code implementation • CVPR 2023 • Zhao Jin, Munawar Hayat, Yuwei Yang, Yulan Guo, Yinjie Lei
The current approaches for 3D visual reasoning are task-specific, and lack pre-training methods to learn generic representations that can transfer across various tasks.
1 code implementation • CVPR 2023 • Yuwei Yang, Munawar Hayat, Zhao Jin, Chao Ren, Yinjie Lei
Despite the significant recent progress made on 3D point cloud semantic segmentation, the current methods require training data for all classes at once, and are not suitable for real-life scenarios where new categories are being continuously discovered.
1 code implementation • ICCV 2023 • Yuwei Yang, Munawar Hayat, Zhao Jin, Hongyuan Zhu, Yinjie Lei
Given only the class-level semantic information for unseen objects, we strive to enhance the correspondence, alignment and consistency between the visual and semantic spaces, to synthesise diverse, generic and transferable visual features.
no code implementations • 29 Sep 2021 • Yuwei Yang, Siqi Ouyang, Meihua Dang, Mingyue Zheng, Lei LI, Hao Zhou
Deep learning models have been widely used in automatic drug design.
1 code implementation • ICLR 2021 • Yutong Xie, Chence Shi, Hao Zhou, Yuwei Yang, Weinan Zhang, Yong Yu, Lei LI
Searching for novel molecules with desired chemical properties is crucial in drug discovery.
no code implementations • 14 Oct 2019 • Yuwei Yang, Fanman Meng, Hongliang Li, Qingbo Wu, Xiaolong Xu, Shuai Chen
The result by the matrix transformation can be regarded as an attention map with high-level semantic cues, based on which a transformation module can be built simply. The proposed transformation module is a general module that can be used to replace the transformation module in the existing few-shot segmentation frameworks.
Ranked #79 on Few-Shot Semantic Segmentation on PASCAL-5i (5-Shot)
no code implementations • 19 Sep 2019 • Yuwei Yang, Fanman Meng, Hongliang Li, King N. Ngan, Qingbo Wu
This paper studies few-shot segmentation, which is a task of predicting foreground mask of unseen classes by a few of annotations only, aided by a set of rich annotations already existed.