| Quantum-inspired Reinforcement Learning for Synthesizable Drug Design | Sep 13, 2024 | Drug DesignDrug Discovery | —Unverified | 0 |
| A Perspective on AI-Guided Molecular Simulations in VR: Exploring Strategies for Imitation Learning in Hyperdimensional Molecular Systems | Sep 11, 2024 | Drug DesignDrug Discovery | —Unverified | 0 |
| Quantitative Prediction of Protein-Polyelectrolyte Binding Thermodynamics: Adsorption of Heparin-Analog Polysulfates to the SARS-CoV-2 Spike Protein RBD | Aug 30, 2024 | Drug DesignFriction | —Unverified | 0 |
| Quantum-machine-assisted Drug Discovery: Survey and Perspective | Aug 24, 2024 | Drug DesignDrug Discovery | —Unverified | 0 |
| Mayer-homology learning prediction of protein-ligand binding affinities | Aug 23, 2024 | DescriptiveDrug Design | —Unverified | 0 |
| CoPRA: Bridging Cross-domain Pretrained Sequence Models with Complex Structures for Protein-RNA Binding Affinity Prediction | Aug 21, 2024 | Drug DesignPrediction | CodeCode Available | 1 |
| Genesis: Towards the Automation of Systems Biology Research | Aug 20, 2024 | Drug DesignRelational Reasoning | —Unverified | 0 |
| Rethinking Molecular Design: Integrating Latent Variable and Auto-Regressive Models for Goal Directed Generation | Aug 19, 2024 | Drug DesignStyle Transfer | CodeCode Available | 0 |
| Fragment and Geometry Aware Tokenization of Molecules for Structure-Based Drug Design Using Language Models | Aug 19, 2024 | Drug Design | —Unverified | 0 |
| What Ails Generative Structure-based Drug Design: Expressivity is Too Little or Too Much? | Aug 12, 2024 | AttributeDrug Design | CodeCode Available | 1 |