| ProtAgents: Protein discovery via large language model multi-agent collaborations combining physics and machine learning | Jan 27, 2024 | Language ModelingLanguage Modelling | CodeCode Available | 1 |
| RDesign: Hierarchical Data-efficient Representation Learning for Tertiary Structure-based RNA Design | Jan 25, 2023 | Contrastive LearningProtein Design | CodeCode Available | 1 |
| MADE: Graph Backdoor Defense with Masked Unlearning | Nov 26, 2024 | backdoor defenseDrug Discovery | —Unverified | 0 |
| MAP Estimation for Graphical Models by Likelihood Maximization | Dec 1, 2010 | Protein Design | —Unverified | 0 |
| MeMDLM: De Novo Membrane Protein Design with Masked Discrete Diffusion Protein Language Models | Oct 22, 2024 | Language ModelingLanguage Modelling | —Unverified | 0 |
| Metropolis Sampling for Constrained Diffusion Models | Jul 11, 2023 | Computational EfficiencyDenoising | —Unverified | 0 |
| Mimetic Neural Networks: A unified framework for Protein Design and Folding | Feb 7, 2021 | BIG-bench Machine LearningProtein Design | —Unverified | 0 |
| Model-based reinforcement learning for protein backbone design | May 3, 2024 | modelModel-based Reinforcement Learning | —Unverified | 0 |
| Modular decomposition of protein structure using community detection | Sep 18, 2018 | Community Detectiondomain classification | —Unverified | 0 |
| Multi-Attribute Constraint Satisfaction via Language Model Rewriting | Dec 26, 2024 | AttributeLanguage Modeling | —Unverified | 0 |
| Antibody DomainBed: Out-of-Distribution Generalization in Therapeutic Protein Design | Jul 15, 2024 | Domain GeneralizationDrug Design | —Unverified | 0 |
| Open-Source Protein Language Models for Function Prediction and Protein Design | Dec 18, 2024 | Protein Design | —Unverified | 0 |
| Optimistic Games for Combinatorial Bayesian Optimization with Application to Protein Design | Sep 27, 2024 | Bayesian OptimizationDrug Discovery | —Unverified | 0 |
| Pan-protein Design Learning Enables Task-adaptive Generalization for Low-resource Enzyme Design | Nov 26, 2024 | DecoderProtein Design | —Unverified | 0 |
| What Do LLMs Need to Understand Graphs: A Survey of Parametric Representation of Graphs | Oct 16, 2024 | Drug DiscoveryGraph Generation | —Unverified | 0 |
| PDBench: Evaluating Computational Methods for Protein Sequence Design | Sep 16, 2021 | Protein Design | —Unverified | 0 |
| PDFBench: A Benchmark for De novo Protein Design from Function | May 25, 2025 | Protein Design | —Unverified | 0 |
| Natural Language Guided Ligand-Binding Protein Design | Jun 11, 2025 | Protein Design | —Unverified | 0 |
| AlphaFold Database Debiasing for Robust Inverse Folding | Jun 10, 2025 | Protein Design | —Unverified | 0 |
| Protriever: End-to-End Differentiable Protein Homology Search for Fitness Prediction | Jun 10, 2025 | Protein DesignRetrieval | —Unverified | 0 |
| Advanced Deep Learning Methods for Protein Structure Prediction and Design | Mar 14, 2025 | Deep LearningMultiple Sequence Alignment | —Unverified | 0 |
| A framework for conditional diffusion modelling with applications in motif scaffolding for protein design | Dec 14, 2023 | DenoisingImage Outpainting | —Unverified | 0 |
| Agentic End-to-End De Novo Protein Design for Tailored Dynamics Using a Language Diffusion Model | Feb 14, 2025 | Protein Design | —Unverified | 0 |
| AI-predicted protein deformation encodes energy landscape | Nov 30, 2023 | Protein Design | —Unverified | 0 |
| A Model-Centric Review of Deep Learning for Protein Design | Feb 26, 2025 | Deep LearningProtein Design | —Unverified | 0 |
| A natural upper bound to the accuracy of predicting protein stability changes upon mutations | Sep 27, 2018 | Protein Design | —Unverified | 0 |
| Applying computational protein design to therapeutic antibody discovery -- current state and perspectives | Mar 2, 2025 | Drug DiscoveryProtein Design | —Unverified | 0 |
| A Survey of Deep Learning Methods in Protein Bioinformatics and its Impact on Protein Design | Jan 2, 2025 | Deep LearningPrediction | —Unverified | 0 |
| A Variational Perspective on Generative Protein Fitness Optimization | Jan 31, 2025 | Protein Design | —Unverified | 0 |
| Backdiff: a diffusion model for generalized transferable protein backmapping | Oct 3, 2023 | Drug DiscoveryProtein Design | —Unverified | 0 |
| Benchmarking deep generative models for diverse antibody sequence design | Nov 12, 2021 | BenchmarkingDiversity | —Unverified | 0 |
| BERT and LLMs-Based avGFP Brightness Prediction and Mutation Design | Jul 30, 2024 | Protein Design | —Unverified | 0 |
| Boosting AND/OR-Based Computational Protein Design: Dynamic Heuristics and Generalizable UFO | Aug 31, 2023 | Protein Design | —Unverified | 0 |
| Breaking the Performance Ceiling in Complex Reinforcement Learning requires Inference Strategies | May 27, 2025 | Protein DesignReinforcement Learning (RL) | —Unverified | 0 |
| Clusters and Coarse Partitions in LP Relaxations | Dec 1, 2008 | Protein Design | —Unverified | 0 |
| Computational design of target-specific linear peptide binders with TransformerBeta | Oct 7, 2024 | Protein Design | —Unverified | 0 |
| Computational Protein Design Using AND/OR Branch-and-Bound Search | Dec 8, 2014 | Combinatorial OptimizationProtein Design | —Unverified | 0 |
| Computational Protein Design with Deep Learning Neural Networks | Feb 24, 2018 | Deep LearningProtein Design | —Unverified | 0 |
| Computational Protein Science in the Era of Large Language Models (LLMs) | Jan 17, 2025 | Drug DiscoveryProtein Design | —Unverified | 0 |
| Conditional Generative Modeling for De Novo Hierarchical Multi-Label Functional Protein Design | Jan 1, 2021 | Protein Designvalid | —Unverified | 0 |
| Deep Generative Modeling for Protein Design | Aug 31, 2021 | image-classificationImage Classification | —Unverified | 0 |
| De novo design of high-affinity protein binders with AlphaProteo | Sep 12, 2024 | Protein Design | —Unverified | 0 |
| Designing a Prospective COVID-19 Therapeutic with Reinforcement Learning | Dec 3, 2020 | Deep Reinforcement LearningProtein Design | —Unverified | 0 |
| Design in the Dark: Learning Deep Generative Models for De Novo Protein Design | Sep 29, 2021 | Protein Design | —Unverified | 0 |
| Diffusion Models in Bioinformatics: A New Wave of Deep Learning Revolution in Action | Feb 13, 2023 | DenoisingProtein Design | —Unverified | 0 |
| Diffusion on language model encodings for protein sequence generation | Mar 6, 2024 | DiversityLanguage Modeling | —Unverified | 0 |
| DockGame: Cooperative Games for Multimeric Rigid Protein Docking | Oct 9, 2023 | Protein Design | —Unverified | 0 |
| DS-ProGen: A Dual-Structure Deep Language Model for Functional Protein Design | May 18, 2025 | Language ModelingLanguage Modelling | —Unverified | 0 |
| Efficient generative modeling of protein sequences using simple autoregressive models | Mar 4, 2021 | Protein Design | —Unverified | 0 |
| EMOCPD: Efficient Attention-based Models for Computational Protein Design Using Amino Acid Microenvironment | Oct 28, 2024 | Protein Design | —Unverified | 0 |