| 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 |
| Benchmarking Generated Poses: How Rational is Structure-based Drug Design with Generative Models? | Aug 14, 2023 | BenchmarkingDrug Design | CodeCode Available | 1 |
| DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping | Aug 14, 2023 | Drug DesignDrug Discovery | CodeCode Available | 1 |
| CTAGE: Curvature-Based Topology-Aware Graph Embedding for Learning Molecular Representations | Jul 25, 2023 | Drug DesignGraph Embedding | —Unverified | 0 |
| Machine-learned molecular mechanics force field for the simulation of protein-ligand systems and beyond | Jul 13, 2023 | Drug DesignDrug Discovery | CodeCode Available | 2 |
| Geometric Constraints in Probabilistic Manifolds: A Bridge from Molecular Dynamics to Structured Diffusion Processes | Jul 10, 2023 | DenoisingDrug Design | —Unverified | 0 |
| ReactIE: Enhancing Chemical Reaction Extraction with Weak Supervision | Jul 4, 2023 | Drug Design | —Unverified | 0 |
