| DeePMD-kit v2: A software package for deep potential models J Zeng, D Zhang, D Lu, P Mo, Z Li, Y Chen, M Rynik, L Huang, Z Li, S Shi, ... The Journal of Chemical Physics 159 (5), 2023 | 115 | 2023 |
| Dmff: an open-source automatic differentiable platform for molecular force field development and molecular dynamics simulation X Wang, J Li, L Yang, F Chen, Y Wang, J Chang, J Chen, W Feng, ... Journal of Chemical Theory and Computation 19 (17), 5897-5909, 2023 | 19 | 2023 |
| Leak proof PDBBind: A reorganized dataset of protein-ligand complexes for more generalizable binding affinity prediction J Li, X Guan, O Zhang, K Sun, Y Wang, D Bagni, T Head-Gordon arXiv preprint arXiv:2308.09639, 2023 | 9 | 2023 |
| Molecular Contrastive Pretraining with Collaborative Featurizations Y Zhu, D Chen, Y Du, Y Wang, Q Liu, S Wu Journal of Chemical Information and Modeling 64 (4), 1112-1122, 2024 | 2 | 2024 |
| Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug Design J Li, O Zhang, K Sun, Y Wang, X Guan, D Bagni, M Haghighatlari, ... Journal of Chemical Information and Modeling, 2024 | | 2024 |
