| MOL-Mamba: Enhancing Molecular Representation with Structural & Electronic Insights | Dec 21, 2024 | Drug DesignMamba | CodeCode Available | 1 |
| Bayesian Flow Is All You Need to Sample Out-of-Distribution Chemical Spaces | Dec 16, 2024 | AllDrug Design | CodeCode Available | 1 |
| PepMNet: a hybrid deep learning model for predicting peptide properties using hierarchical graph representations | Dec 11, 2024 | Drug DesignProperty Prediction | CodeCode Available | 1 |
| DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback | Nov 20, 2024 | Drug DesignDrug Discovery | CodeCode Available | 1 |
| GraphXForm: Graph transformer for computer-aided molecular design | Nov 3, 2024 | Drug DesignDrug Discovery | CodeCode Available | 1 |
| Long-context Protein Language Modeling Using Bidirectional Mamba with Shared Projection Layers | Oct 29, 2024 | Drug DesignLanguage Modeling | CodeCode Available | 1 |
| Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design | Oct 28, 2024 | Drug Design | CodeCode Available | 1 |
| DeltaDock: A Unified Framework for Accurate, Efficient, and Physically Reliable Molecular Docking | Oct 15, 2024 | Blind DockingDrug Design | CodeCode Available | 1 |
| Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning | Oct 5, 2024 | BenchmarkingDrug Design | CodeCode Available | 1 |
| Geometric Representation Condition Improves Equivariant Molecule Generation | Oct 4, 2024 | Drug Designscientific discovery | CodeCode Available | 1 |