| Curiosity as a Self-Supervised Method to Improve Exploration in De novo Drug Design | Sep 24, 2023 | DiversityDrug Design | CodeCode Available | 0 |
| GGL-PPI: Geometric Graph Learning to Predict Mutation-Induced Binding Free Energy Changes | Sep 23, 2023 | Drug DesignDrug Discovery | CodeCode Available | 0 |
| HydraScreen: A Generalizable Structure-Based Deep Learning Approach to Drug Discovery | Sep 22, 2023 | Drug DesignDrug Discovery | —Unverified | 0 |
| NLRP3 monomer Functional Dynamics: from the Effects of Allosteric Binding to Implications for Drug Design | Sep 7, 2023 | Drug Design | —Unverified | 0 |
| Unveiling the frontiers of deep learning: innovations shaping diverse domains | Sep 6, 2023 | Deep LearningDrug Design | —Unverified | 0 |
| The known unknowns of the Hsp90 chaperone | Aug 31, 2023 | Drug DesignKnown Unknowns | —Unverified | 0 |
| Shape-conditioned 3D Molecule Generation via Equivariant Diffusion Models | Aug 23, 2023 | 3D Molecule GenerationDrug Design | —Unverified | 0 |
| Learning MDL logic programs from noisy data | Aug 18, 2023 | Drug DesignInductive logic programming | CodeCode Available | 0 |
| CTAGE: Curvature-Based Topology-Aware Graph Embedding for Learning Molecular Representations | Jul 25, 2023 | Drug DesignGraph Embedding | —Unverified | 0 |
| Geometric Constraints in Probabilistic Manifolds: A Bridge from Molecular Dynamics to Structured Diffusion Processes | Jul 10, 2023 | DenoisingDrug Design | —Unverified | 0 |
