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| Vertex-Edge Weighted Molecular Graphs: A study on topological indices and their relevance to physicochemical properties of drugs in use cancer treatment | Jul 28, 2024 | Drug Design | —Unverified | 0 |
| Small Molecule Optimization with Large Language Models | Jul 26, 2024 | Drug Design | CodeCode Available | 1 |
| CavDetect: A DBSCAN Algorithm based Novel Cavity Detection Model on Protein Structure | Jul 25, 2024 | Drug Design | —Unverified | 0 |
| Ranking protein-protein models with large language models and graph neural networks | Jul 23, 2024 | Drug Design | CodeCode Available | 1 |
| Diff4VS: HIV-inhibiting Molecules Generation with Classifier Guidance Diffusion for Virtual Screening | Jul 20, 2024 | Drug Design | CodeCode Available | 0 |
| Decomposed Direct Preference Optimization for Structure-Based Drug Design | Jul 19, 2024 | Drug Design | —Unverified | 0 |
| Antibody DomainBed: Out-of-Distribution Generalization in Therapeutic Protein Design | Jul 15, 2024 | Domain GeneralizationDrug Design | —Unverified | 0 |
| Token-Mol 1.0: Tokenized drug design with large language model | Jul 10, 2024 | Drug DesignDrug Discovery | —Unverified | 0 |
| Leveraging Latent Evolutionary Optimization for Targeted Molecule Generation | Jul 2, 2024 | Drug DesignDrug Discovery | —Unverified | 0 |
