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| Evaluating Molecule Synthesizability via Retrosynthetic Planning and Reaction Prediction | Nov 13, 2024 | Drug DesignDrug Discovery | —Unverified | 0 |
| 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 |
| GraphXForm: Graph transformer for computer-aided molecular design | Nov 3, 2024 | Drug DesignDrug Discovery | CodeCode Available | 1 |
| Towards Cross-Modal Text-Molecule Retrieval with Better Modality Alignment | Oct 31, 2024 | Contrastive Learningcross-modal alignment | CodeCode Available | 0 |
| Long-context Protein Language Modeling Using Bidirectional Mamba with Shared Projection Layers | Oct 29, 2024 | Drug DesignLanguage Modeling | CodeCode Available | 1 |
