| GraphNVP: An Invertible Flow Model for Generating Molecular Graphs | May 28, 2019 | Graph GenerationMolecular Graph Generation | CodeCode Available | 0 | 5 |
| GraphSPNs: Sum-Product Networks Benefit From Canonical Orderings | Aug 18, 2024 | Molecular Graph Generationvalid | CodeCode Available | 0 | 5 |
| High-Dimensional Bayesian Optimisation with Variational Autoencoders and Deep Metric Learning | Jun 7, 2021 | Bayesian OptimisationMetric Learning | CodeCode Available | 0 | 5 |
| Instruction-Based Molecular Graph Generation with Unified Text-Graph Diffusion Model | Aug 19, 2024 | Computational chemistryDenoising | CodeCode Available | 0 | 5 |
| MARS: Markov Molecular Sampling for Multi-objective Drug Discovery | Mar 18, 2021 | Drug DiscoveryGraph Neural Network | CodeCode Available | 0 | 5 |
| MolecularRNN: Generating realistic molecular graphs with optimized properties | May 31, 2019 | Drug DiscoveryMolecular Graph Generation | CodeCode Available | 0 | 5 |
| Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models | Nov 29, 2018 | BenchmarkingDiversity | CodeCode Available | 0 | 5 |
| Reinforced Molecular Optimization with Neighborhood-Controlled Grammars | Nov 14, 2020 | Graph GenerationMolecular Graph Generation | CodeCode Available | 0 | 5 |
| GraphNVP: an Invertible Flow-based Model for Generating Molecular Graphs | Sep 25, 2019 | Graph GenerationMolecular Graph Generation | —Unverified | 0 | 0 |
| Graph Energy-based Model for Molecular Graph Generation | Feb 26, 2021 | Graph Generationmodel | —Unverified | 0 | 0 |
