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| Accelerating Inference in Molecular Diffusion Models with Latent Representations of Protein Structure | Nov 22, 2023 | Drug Design | CodeCode Available | 1 |
| ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment | Oct 11, 2023 | Drug Design | CodeCode Available | 1 |
| TacoGFN: Target-conditioned GFlowNet for Structure-based Drug Design | Oct 5, 2023 | Active LearningDrug Design | CodeCode Available | 1 |
| Structure to Property: Chemical Element Embeddings and a Deep Learning Approach for Accurate Prediction of Chemical Properties | Sep 17, 2023 | DecoderDrug Design | CodeCode Available | 1 |
| Benchmarking Generated Poses: How Rational is Structure-based Drug Design with Generative Models? | Aug 14, 2023 | BenchmarkingDrug Design | CodeCode Available | 1 |
| DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping | Aug 14, 2023 | Drug DesignDrug Discovery | CodeCode Available | 1 |
| Protein-DNA binding sites prediction based on pre-trained protein language model and contrastive learning | Jun 28, 2023 | Contrastive LearningDrug Design | CodeCode Available | 1 |
| Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop | Jun 22, 2023 | Computational EfficiencyDrug Design | CodeCode Available | 1 |
| Geometric Deep Learning for Structure-Based Drug Design: A Survey | Jun 20, 2023 | BenchmarkingDeep Learning | CodeCode Available | 1 |
