| Applying Deep Reinforcement Learning to the HP Model for Protein Structure Prediction | Nov 27, 2022 | Deep Reinforcement LearningProtein Folding | CodeCode Available | 0 |
| Invariance-Aware Randomized Smoothing Certificates | Nov 25, 2022 | Molecular Property PredictionProperty Prediction | —Unverified | 0 |
| Friends in need: how chaperonins recognize and remodel proteins that require folding assistance | Nov 16, 2022 | Protein Folding | —Unverified | 0 |
| Variational Quantum Algorithms for Chemical Simulation and Drug Discovery | Nov 15, 2022 | Drug DiscoveryProtein Folding | —Unverified | 0 |
| Rethinking the protein folding problem from a new perspective | Oct 10, 2022 | Protein Folding | —Unverified | 0 |
| Generalization Properties of Retrieval-based Models | Oct 6, 2022 | Protein FoldingRetrieval | —Unverified | 0 |
| AlphaFold Distillation for Protein Design | Oct 5, 2022 | DiversityDrug Discovery | CodeCode Available | 1 |
| State-specific protein-ligand complex structure prediction with a multi-scale deep generative model | Sep 30, 2022 | BenchmarkingBlind Docking | CodeCode Available | 2 |
| Geometric Signatures of Switching Behavior in Mechanobiology | Sep 7, 2022 | Protein Folding | —Unverified | 0 |
| GANs and Closures: Micro-Macro Consistency in Multiscale Modeling | Aug 23, 2022 | Dimensionality ReductionProtein Folding | —Unverified | 0 |
| Protein Folding: From Classical Issues to a New Perspective | Aug 5, 2022 | Protein Folding | —Unverified | 0 |
| Selectivity of Protein Interactions Stimulated by Terahertz Signals | Jul 4, 2022 | Protein Folding | —Unverified | 0 |
| Molecular information theory meets protein folding | Jun 29, 2022 | Protein Folding | —Unverified | 0 |
| Robust deep learning based protein sequence design using ProteinMPNN | Jun 4, 2022 | Deep LearningDrug Discovery | CodeCode Available | 3 |
| Learning Geometrically Disentangled Representations of Protein Folding Simulations | May 20, 2022 | Protein Folding | —Unverified | 0 |
| Chetaev Instability Framework for Kinetostatic Compliance-Based Protein Unfolding | May 15, 2022 | Protein Folding | —Unverified | 0 |
| Efficient Architecture Search for Diverse Tasks | Apr 15, 2022 | AutoMLNeural Architecture Search | CodeCode Available | 1 |
| First-passage times in complex energy landscapes: a case study with nonmuscle myosin II assembly | Apr 7, 2022 | Protein Folding | —Unverified | 0 |
| A 23 MW data centre is all you need | Mar 31, 2022 | AllBoard Games | —Unverified | 0 |
| Disentangled Spatiotemporal Graph Generative Models | Feb 28, 2022 | DisentanglementFunctional Connectivity | —Unverified | 0 |
| From evolution to folding of repeat proteins | Feb 24, 2022 | Protein Folding | —Unverified | 0 |
| Collective Variable for Metadynamics Derived from AlphaFold Output | Feb 17, 2022 | PredictionProtein Folding | —Unverified | 0 |
| Prompt-Guided Injection of Conformation to Pre-trained Protein Model | Feb 7, 2022 | Language ModelingLanguage Modelling | —Unverified | 0 |
| AlphaDesign: A graph protein design method and benchmark on AlphaFoldDB | Feb 1, 2022 | DecoderProtein Design | CodeCode Available | 1 |
| DrugOOD: Out-of-Distribution (OOD) Dataset Curator and Benchmark for AI-aided Drug Discovery -- A Focus on Affinity Prediction Problems with Noise Annotations | Jan 24, 2022 | BenchmarkingDrug Discovery | CodeCode Available | 0 |