| Aug 19, 2025 | RxnFlow: Generative Flows on Synthetic Pathway for Drug Design |
| Aug 12, 2025 | RGFN: Synthesizable Molecular Generation Using GFlowNets |
| Aug 05, 2025 | Multi-Objective GFlowNets |
| Jul 29, 2025 | GFlowNet: Flow Network based Generative Models for Non-Iterative Diverse Candidate Generation |
| Jul 23, 2025 | SPARROW: An algorithmic framework for synthetic cost-aware decision making in molecular design |
| Jul 15, 2025 | Syn-MolOpt: A Synthesis Planning-Driven Molecular Optimization Method Using Data-Derived Functional Reaction Templates |
| Jul 08, 2025 | Amortized Tree Generation for Bottom-Up Synthesis Planning and Synthesizable Molecular Design |
| Feb 21, 2025 | Mothra: Multi-objective de novo Molecular Generation Using Monte Carlo Tree Search |
| Feb 13, 2025 | ChemMORT: an automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization |
| Feb 07, 2025 | Multi-objective latent space optimization of generative molecular design models |
| Feb 13, 2024 | RePaint: Inpainting using denoising diffusion probabilistic models |