| Coarse-to-fine: a hierarchical diffusion model for molecule generation in 3d B Qiang, Y Song, M Xu, J Gong, B Gao, H Zhou, WY Ma, Y Lan International Conference on Machine Learning, 28277-28299, 2023 | 9 | 2023 |
| DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening B Gao, B Qiang, H Tan, M Ren, Y Jia, M Lu, J Liu, W Ma, Y Lan Advances in Neural Information Processing Systems 36 (NeurIPS 2023), 2023 | 5 | 2023 |
| ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment B Gao, Y Jia, Y Mo, Y Ni, W Ma, Z Ma, Y Lan International Conference on Learning Representations (ICLR 2024), 2024 | 2* | 2024 |
| Rethinking Specificity in SBDD: Leveraging Delta Score and Energy-Guided Diffusion B Gao, M Ren, Y Ni, Y Huang, B Qiang, ZM Ma, WY Ma, Y Lan arXiv preprint arXiv:2403.12987, 2024 | | 2024 |
| Delta Score: Improving the Binding Assessment of Structure-Based Drug Design Methods M Ren, B Gao, B Qiang, Y Lan NeurIPS 2023 Generative AI and Biology (GenBio) Workshop, 2023 | | 2023 |
| cancerAlign: Stratifying tumors by unsupervised alignment across cancer types B Gao, Y Luo, J Ma, S Wang bioRxiv, 2020.11. 17.387860, 2020 | | 2020 |
