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| Endowing Protein Language Models with Structural Knowledge | Jan 26, 2024 | Drug DesignLanguage Modeling | CodeCode Available | 1 | 5 |
| CoPRA: Bridging Cross-domain Pretrained Sequence Models with Complex Structures for Protein-RNA Binding Affinity Prediction | Aug 21, 2024 | Drug DesignPrediction | CodeCode Available | 1 | 5 |
| CovDocker: Benchmarking Covalent Drug Design with Tasks, Datasets, and Solutions | Jun 26, 2025 | BenchmarkingDrug Design | CodeCode Available | 1 | 5 |
| Independent SE(3)-Equivariant Models for End-to-End Rigid Protein Docking | Nov 15, 2021 | Drug DesignGraph Matching | CodeCode Available | 1 | 5 |
| 3DLinker: An E(3) Equivariant Variational Autoencoder for Molecular Linker Design | May 15, 2022 | Drug Design | CodeCode Available | 1 | 5 |
| Geometric Deep Learning for Structure-Based Drug Design: A Survey | Jun 20, 2023 | BenchmarkingDeep Learning | CodeCode Available | 1 | 5 |
| A fully differentiable ligand pose optimization framework guided by deep learning and traditional scoring functions | Jun 27, 2022 | Drug Design | CodeCode Available | 1 | 5 |
| Learning programs with magic values | Aug 5, 2022 | Drug DesignInductive logic programming | CodeCode Available | 1 | 5 |
| Multiscale Simulations of Complex Systems by Learning their Effective Dynamics | Jun 24, 2020 | Drug DesignWeather Forecasting | CodeCode Available | 1 | 5 |
