| Hashing for Protein Structure Similarity Search | Nov 13, 2024 | Drug DesignProtein Function Prediction | —Unverified | 0 |
| Dockformer: A transformer-based molecular docking paradigm for large-scale virtual screening | Nov 11, 2024 | Drug DesignMolecular Docking | —Unverified | 0 |
| Improving Molecular Graph Generation with Flow Matching and Optimal Transport | Nov 8, 2024 | Drug DesignGraph Generation | —Unverified | 0 |
| Pathway-Guided Optimization of Deep Generative Molecular Design Models for Cancer Therapy | Nov 5, 2024 | Drug Design | CodeCode Available | 0 |
| Towards Cross-Modal Text-Molecule Retrieval with Better Modality Alignment | Oct 31, 2024 | Contrastive Learningcross-modal alignment | CodeCode Available | 0 |
| TurboHopp: Accelerated Molecule Scaffold Hopping with Consistency Models | Oct 28, 2024 | Drug DesignDrug Discovery | CodeCode Available | 0 |
| SAFE setup for generative molecular design | Oct 26, 2024 | Data AugmentationDrug Design | —Unverified | 0 |
| ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design | Oct 22, 2024 | Drug Design | —Unverified | 0 |
| Y-Mol: A Multiscale Biomedical Knowledge-Guided Large Language Model for Drug Development | Oct 15, 2024 | Drug DesignKnowledge Graphs | —Unverified | 0 |
| Diversity-Aware Reinforcement Learning for de novo Drug Design | Oct 14, 2024 | DiversityDrug Design | —Unverified | 0 |
