| Multi-modal molecule structure–text model for text-based retrieval and editing S Liu, W Nie, C Wang, J Lu, Z Qiao, L Liu, J Tang, C Xiao, A Anandkumar Nature Machine Intelligence 5 (12), 1447-1457, 2023 | 61 | 2023 |
| Torchdrug: A powerful and flexible machine learning platform for drug discovery Z Zhu, C Shi, Z Zhang, S Liu, M Xu, X Yuan, Y Zhang, J Chen, H Cai, J Lu, ... arXiv preprint arXiv:2202.08320, 2022 | 58 | 2022 |
| Peer: a comprehensive and multi-task benchmark for protein sequence understanding M Xu, Z Zhang, J Lu, Z Zhu, Y Zhang, M Chang, R Liu, J Tang Advances in Neural Information Processing Systems 35, 35156-35173, 2022 | 39 | 2022 |
| Protein Sequence and Structure Co-Design with Equivariant Translation C Shi, C Wang, J Lu, B Zhong, J Tang International Conference on Learning Representations (ICLR 2023), 2022 | 32 | 2022 |
| A text-guided protein design framework S Liu, Y Zhu, J Lu, Z Xu, W Nie, A Gitter, C Xiao, J Tang, H Guo, ... arXiv preprint arXiv:2302.04611, 2023 | 28 | 2023 |
| Relmole: molecular representation learning based on two-level graph similarities Z Ji, R Shi, J Lu, F Li, Y Yang Journal of Chemical Information and Modeling 62 (22), 5361-5372, 2022 | 19 | 2022 |
| EmbedDTI: enhancing the molecular representations via sequence embedding and graph convolutional network for the prediction of drug-target interaction Y Jin, J Lu, R Shi, Y Yang Biomolecules 11 (12), 1783, 2021 | 17 | 2021 |
| KenDTI: An Ensemble Model for Predicting Drug-Target Interaction by Integrating Multi-Source Information Z Yu, J Lu, Y Jin, Y Yang IEEE/ACM Transactions on Computational Biology and Bioinformatics 18 (4 …, 2021 | 12* | 2021 |
| Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets D Beaini, S Huang, JA Cunha, G Moisescu-Pareja, O Dymov, ... The Twelfth International Conference on Learning Representations (ICLR), 2023 | 5 | 2023 |
| GraphCG: Unsupervised discovery of steerable factors in graphs S Liu, C Wang, W Nie, H Wang, J Lu, B Zhou, J Tang | 5 | 2022 |
| Score-based enhanced sampling for protein molecular dynamics J Lu, B Zhong, J Tang arXiv preprint arXiv:2306.03117, 2023 | 4 | 2023 |
| Str2str: A score-based framework for zero-shot protein conformation sampling J Lu, B Zhong, Z Zhang, J Tang The Twelfth International Conference on Learning Representations, 2023 | 3 | 2023 |
| Fusing Neural and Physical: Augment Protein Conformation Sampling with Tractable Simulations J Lu, Z Zhang, B Zhong, C Shi, J Tang arXiv preprint arXiv:2402.10433, 2024 | | 2024 |
| ProtIR: Iterative Refinement between Retrievers and Predictors for Protein Function Annotation Z Zhang, J Lu, V Chenthamarakshan, A Lozano, P Das, J Tang arXiv preprint arXiv:2402.07955, 2024 | | 2024 |
| Structure-Informed Protein Language Model Z Zhang, J Lu, V Chenthamarakshan, A Lozano, P Das, J Tang arXiv preprint arXiv:2402.05856, 2024 | | 2024 |
| Illuminating Protein Function Prediction through Inter-Protein Similarity Modeling Z Zhang, J Lu, V Chenthamarakshan, A Lozano, P Das, J Tang | | 2023 |
| Unsupervised Discovery of Steerable Factors When Graph Deep Generative Models Are Entangled S Liu, C Wang, J Lu, W Nie, H Wang, Z Li, B Zhou, J Tang Transactions on Machine Learning Research, 2023 | | 2023 |
