| BInD: Bond and Interaction-generating Diffusion Model for Multi-objective Structure-based Drug Design | May 27, 2024 | 3D Molecule GenerationDrug Design | CodeCode Available | 1 |
| Retro-prob: Retrosynthetic Planning Based on a Probabilistic Model | May 25, 2024 | Drug DesignRetrosynthesis | —Unverified | 0 |
| PILOT: Equivariant diffusion for pocket conditioned de novo ligand generation with multi-objective guidance via importance sampling | May 23, 2024 | Drug DesignDrug Discovery | —Unverified | 0 |
| Uni-Mol Docking V2: Towards Realistic and Accurate Binding Pose Prediction | May 20, 2024 | Drug DesignMolecular Docking | CodeCode Available | 5 |
| Guided Multi-objective Generative AI to Enhance Structure-based Drug Design | May 20, 2024 | Drug DesignDrug Discovery | CodeCode Available | 0 |
| Improving Targeted Molecule Generation through Language Model Fine-Tuning Via Reinforcement Learning | May 10, 2024 | Drug DesignLanguage Modeling | —Unverified | 0 |
| DrugLLM: Open Large Language Model for Few-shot Molecule Generation | May 7, 2024 | Drug DesignDrug Discovery | —Unverified | 0 |
| ACEGEN: Reinforcement learning of generative chemical agents for drug discovery | May 7, 2024 | BenchmarkingDecision Making | CodeCode Available | 3 |
| Navigating Chemical Space with Latent Flows | May 7, 2024 | DiversityDrug Design | CodeCode Available | 1 |
| Structure-based drug design by denoising voxel grids | May 7, 2024 | DenoisingDrug Design | CodeCode Available | 1 |
