| Molecule Generation by Principal Subgraph Mining and Assembling | Jun 29, 2021 | Drug DiscoveryGraph Generation | CodeCode Available | 1 |
| MoFlow: An Invertible Flow Model for Generating Molecular Graphs | Jun 17, 2020 | Drug DiscoveryGraph Generation | CodeCode Available | 1 |
| Sample-Efficient Optimization in the Latent Space of Deep Generative Models via Weighted Retraining | Jun 16, 2020 | Drug DesignMolecular Graph Generation | CodeCode Available | 1 |
| The general theory of permutation equivarant neural networks and higher order graph variational encoders | Apr 8, 2020 | Graph GenerationGraph Learning | CodeCode Available | 1 |
| GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation | Jan 26, 2020 | Density EstimationDrug Discovery | CodeCode Available | 1 |
| Optimization of Molecules via Deep Reinforcement Learning | Oct 19, 2018 | Deep Reinforcement LearningMolecular Graph Generation | CodeCode Available | 1 |
| Junction Tree Variational Autoencoder for Molecular Graph Generation | Feb 12, 2018 | Drug DiscoveryGraph Generation | CodeCode Available | 1 |
| Pretraining Generative Flow Networks with Inexpensive Rewards for Molecular Graph Generation | Mar 8, 2025 | Drug DesignGraph Generation | —Unverified | 0 |
| Learning-Order Autoregressive Models with Application to Molecular Graph Generation | Mar 7, 2025 | Graph GenerationMolecular Graph Generation | —Unverified | 0 |
| FragFM: Hierarchical Framework for Efficient Molecule Generation via Fragment-Level Discrete Flow Matching | Feb 19, 2025 | DiversityDrug Discovery | —Unverified | 0 |
