Molformer: Motif-based transformer on 3d heterogeneous molecular graphs F Wu, D Radev, SZ Li Proceedings of the AAAI Conference on Artificial Intelligence 37 (4), 5312-5320, 2023 | 60* | 2023 |
Architecture-Agnostic Masked Image Modeling--From ViT back to CNN S Li, D Wu, F Wu, Z Zang, B Sun, H Li, X Xie, S Li International Conference on Machine Learning, PMLR 202:20149-20167, 2023., 2022 | 37 | 2022 |
Pre‐Training of Equivariant Graph Matching Networks with Conformation Flexibility for Drug Binding F Wu, S Jin, Y Jiang, X Jin, B Tang, Z Niu, X Liu, Q Zhang, X Zeng, SZ Li Advanced Science 9 (33), 2203796, 2022 | 30* | 2022 |
DIFFMD: A Geometric Diffusion Model for Molecular Dynamics Simulations F Wu, SZ Li Proceedings of the AAAI Conference on Artificial Intelligence 37 (4), 5321-5329, 2023 | 24* | 2023 |
Integration of pre-trained protein language models into geometric deep learning networks F Wu, L Wu, D Radev, J Xu, SZ Li Communications Biology 6 (1), 876, 2023 | 20* | 2023 |
Rethinking explaining graph neural networks via non-parametric subgraph matching F Wu, S Li, X Jin, Y Jiang, D Radev, Z Niu, SZ Li International Conference on Machine Learning, 37511-37523, 2023 | 13 | 2023 |
Improving molecular representation learning with metric learning-enhanced optimal transport F Wu, N Courty, S Jin, SZ Li Patterns 4 (4), 2023 | 12* | 2023 |
Direct prediction of gas adsorption via spatial atom interaction learning J Cui, F Wu, W Zhang, L Yang, J Hu, Y Fang, P Ye, Q Zhang, X Suo, Y Mo, ... Nature Communications 14 (1), 7043, 2023 | 9 | 2023 |
Discovering the Representation Bottleneck of Graph Neural Networks from Multi-order Interactions F Wu, S Li, L Wu, SZ Li, D Radev, Q Zhang arXiv preprint arXiv:2205.07266, 2022 | 8 | 2022 |
Semireward: A general reward model for semi-supervised learning S Li, W Jin, Z Wang, F Wu, Z Liu, C Tan, SZ Li arXiv preprint arXiv:2310.03013, 2023 | 6 | 2023 |
A Hierarchical Training Paradigm for Antibody Structure-sequence Co-design F Wu, SZ Li Thirty-seventh Conference on Neural Information Processing Systems. 2023., 2023 | 5 | 2023 |
A Semi-supervised Molecular Learning Framework for Activity Cliff Estimation F Wu IJCAI 2024, 0 | 4* | |
InsertGNN: Can Graph Neural Networks Outperform Humans in TOEFL Sentence Insertion Problem? F Wu, SZ Li arXiv preprint arXiv:2103.15066, 2021 | 3 | 2021 |
Surface-VQMAE: Vector-quantized Masked Auto-encoders on Molecular Surfaces F Wu, SZ Li International Conference on Machine Learning, 53619-53634, 2024 | | 2024 |