| Deep Denerative Models for Drug Design and Response | Sep 14, 2021 | Drug DesignDrug Response Prediction | —Unverified | 0 |
| DeepBioisostere: Discovering Bioisosteres with Deep Learning for a Fine Control of Multiple Molecular Properties | Mar 5, 2024 | Drug Design | —Unverified | 0 |
| Autonomous Drug Design with Multi-Armed Bandits | Jul 4, 2022 | Drug DesignMulti-Armed Bandits | —Unverified | 0 |
| Decomposed Direct Preference Optimization for Structure-Based Drug Design | Jul 19, 2024 | Drug Design | —Unverified | 0 |
| AI challenges for predicting the impact of mutations on protein stability | Nov 8, 2021 | Computational EfficiencyDrug Design | —Unverified | 0 |
| Accurate Free Energy Estimations of Molecular Systems Via Flow-based Targeted Free Energy Perturbation | Feb 23, 2023 | Drug Design | —Unverified | 0 |
| Geometric-informed GFlowNets for Structure-Based Drug Design | Jun 16, 2024 | Drug DesignDrug Discovery | —Unverified | 0 |
| Graph-augmented Convolutional Networks on Drug-Drug Interactions Prediction | Dec 8, 2019 | Drug DesignDrug Discovery | —Unverified | 0 |
| Happy People -- Image Synthesis as Black-Box Optimization Problem in the Discrete Latent Space of Deep Generative Models | Jun 11, 2023 | Drug DesignImage Generation | —Unverified | 0 |
| DecompOpt: Controllable and Decomposed Diffusion Models for Structure-based Molecular Optimization | Mar 7, 2024 | Drug DesignDrug Discovery | —Unverified | 0 |
