| Conditional β-VAE for De Novo Molecular Generation | May 2, 2022 | Drug DiscoveryMolecular Graph Generation | —Unverified | 0 |
| Interpretable Molecular Graph Generation via Monotonic Constraints | Feb 28, 2022 | DisentanglementDrug Discovery | —Unverified | 0 |
| Target-aware Molecular Graph Generation | Feb 10, 2022 | Drug DiscoveryGraph Generation | —Unverified | 0 |
| Molecular Graph Generation via Geometric Scattering | Oct 12, 2021 | Drug DesignGraph Generation | —Unverified | 0 |
| GraphEBM: Towards Permutation Invariant and Multi-Objective Molecular Graph Generation | Sep 29, 2021 | Drug DiscoveryGraph Generation | —Unverified | 0 |
| Spanning Tree-based Graph Generation for Molecules | Sep 29, 2021 | Graph GenerationMolecular Graph Generation | —Unverified | 0 |
| High-Dimensional Bayesian Optimisation with Variational Autoencoders and Deep Metric Learning | Jun 7, 2021 | Bayesian OptimisationMetric Learning | CodeCode Available | 0 |
| Realistic molecule optimization on a learned graph manifold | Jun 3, 2021 | Drug DesignGraph Generation | —Unverified | 0 |
| MARS: Markov Molecular Sampling for Multi-objective Drug Discovery | Mar 18, 2021 | Drug DiscoveryGraph Neural Network | CodeCode Available | 0 |
| Graph Energy-based Model for Molecular Graph Generation | Feb 26, 2021 | Graph Generationmodel | —Unverified | 0 |
