| Empower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow Networks | Nov 20, 2024 | Bayesian InferenceDrug Design | CodeCode Available | 2 |
| Generative Flows on Synthetic Pathway for Drug Design | Oct 6, 2024 | Drug DesignDrug Discovery | CodeCode Available | 2 |
| Efficient Evolutionary Search Over Chemical Space with Large Language Models | Jun 23, 2024 | Drug DesignEvolutionary Algorithms | CodeCode Available | 2 |
| SynFlowNet: Design of Diverse and Novel Molecules with Synthesis Constraints | May 2, 2024 | DiversityDrug Design | CodeCode Available | 2 |
| Mamba-360: Survey of State Space Models as Transformer Alternative for Long Sequence Modelling: Methods, Applications, and Challenges | Apr 24, 2024 | Drug DesignInductive Bias | CodeCode Available | 2 |
| MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space | Apr 18, 2024 | Drug Design | CodeCode Available | 2 |
| PPFlow: Target-aware Peptide Design with Torsional Flow Matching | Mar 5, 2024 | Drug DesignDrug Discovery | CodeCode Available | 2 |
| DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design | Feb 26, 2024 | AvgDrug Design | CodeCode Available | 2 |
| A Survey of Generative AI for de novo Drug Design: New Frontiers in Molecule and Protein Generation | Feb 13, 2024 | Drug Design | CodeCode Available | 2 |
| Machine-learned molecular mechanics force field for the simulation of protein-ligand systems and beyond | Jul 13, 2023 | Drug DesignDrug Discovery | CodeCode Available | 2 |
