| ProteinWeaver: A Divide-and-Assembly Approach for Protein Backbone Design | Nov 8, 2024 | Protein Design | —Unverified | 0 |
| Bridge-IF: Learning Inverse Protein Folding with Markov Bridges | Nov 4, 2024 | Protein DesignProtein Folding | CodeCode Available | 1 |
| EMOCPD: Efficient Attention-based Models for Computational Protein Design Using Amino Acid Microenvironment | Oct 28, 2024 | Protein Design | —Unverified | 0 |
| Peptide-GPT: Generative Design of Peptides using Generative Pre-trained Transformers and Bio-informatic Supervision | Oct 25, 2024 | Language ModellingProtein Design | CodeCode Available | 1 |
| Training Free Guided Flow Matching with Optimal Control | Oct 23, 2024 | Image ManipulationProtein Design | —Unverified | 0 |
| MeMDLM: De Novo Membrane Protein Design with Masked Discrete Diffusion Protein Language Models | Oct 22, 2024 | Language ModelingLanguage Modelling | —Unverified | 0 |
| Reinforcement learning on structure-conditioned categorical diffusion for protein inverse folding | Oct 22, 2024 | DiversityProtein Design | CodeCode Available | 1 |
| Fine-Tuning Discrete Diffusion Models via Reward Optimization with Applications to DNA and Protein Design | Oct 17, 2024 | Protein DesignReinforcement Learning (RL) | CodeCode Available | 2 |
| Geometric Trajectory Diffusion Models | Oct 16, 2024 | Protein Design | CodeCode Available | 1 |
| What Do LLMs Need to Understand Graphs: A Survey of Parametric Representation of Graphs | Oct 16, 2024 | Drug DiscoveryGraph Generation | —Unverified | 0 |
| Metalic: Meta-Learning In-Context with Protein Language Models | Oct 10, 2024 | In-Context LearningMeta-Learning | CodeCode Available | 1 |
| Computational design of target-specific linear peptide binders with TransformerBeta | Oct 7, 2024 | Protein Design | —Unverified | 0 |
| Plug-and-Play Controllable Generation for Discrete Masked Models | Oct 3, 2024 | Image GenerationProtein Design | —Unverified | 0 |
| Towards deep learning sequence-structure co-generation for protein design | Oct 2, 2024 | Deep LearningProtein Design | —Unverified | 0 |
| Optimistic Games for Combinatorial Bayesian Optimization with Application to Protein Design | Sep 27, 2024 | Bayesian OptimizationDrug Discovery | —Unverified | 0 |
| Recent advances in interpretable machine learning using structure-based protein representations | Sep 26, 2024 | Interpretable Machine LearningProtein Design | —Unverified | 0 |
| De novo design of high-affinity protein binders with AlphaProteo | Sep 12, 2024 | Protein Design | —Unverified | 0 |
| ProteinBench: A Holistic Evaluation of Protein Foundation Models | Sep 10, 2024 | Protein Design | —Unverified | 0 |
| Leveraging Deep Generative Model For Computational Protein Design And Optimization | Aug 30, 2024 | Protein DesignProtein Structure Prediction | —Unverified | 0 |
| BERT and LLMs-Based avGFP Brightness Prediction and Mutation Design | Jul 30, 2024 | Protein Design | —Unverified | 0 |
| RNACG: A Universal RNA Sequence Conditional Generation model based on Flow-Matching | Jul 29, 2024 | Property PredictionProtein Design | —Unverified | 0 |
| Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design | Jul 16, 2024 | Drug DiscoveryOut-of-Distribution Generalization | CodeCode Available | 1 |
| Antibody DomainBed: Out-of-Distribution Generalization in Therapeutic Protein Design | Jul 15, 2024 | Domain GeneralizationDrug Design | —Unverified | 0 |
| Reinforcement Learning for Sequence Design Leveraging Protein Language Models | Jul 3, 2024 | DiversityDrug Discovery | —Unverified | 0 |
| Fast uncovering of protein sequence diversity from structure | Jun 17, 2024 | DiversityProtein Design | —Unverified | 0 |
| RNAFlow: RNA Structure & Sequence Design via Inverse Folding-Based Flow Matching | May 29, 2024 | DenoisingProtein Design | CodeCode Available | 2 |
| UniIF: Unified Molecule Inverse Folding | May 29, 2024 | AllDrug Discovery | —Unverified | 0 |
| Implicitly Guided Design with PropEn: Match your Data to Follow the Gradient | May 28, 2024 | DecoderProtein Design | —Unverified | 0 |
| Learning the Language of Protein Structure | May 24, 2024 | Protein DesignRepresentation Learning | CodeCode Available | 1 |
| Out of Many, One: Designing and Scaffolding Proteins at the Scale of the Structural Universe with Genie 2 | May 24, 2024 | Data AugmentationDiversity | CodeCode Available | 2 |
| SurfPro: Functional Protein Design Based on Continuous Surface | May 7, 2024 | DecoderProtein Design | —Unverified | 0 |
| Model-based reinforcement learning for protein backbone design | May 3, 2024 | modelModel-based Reinforcement Learning | —Unverified | 0 |
| ProteinEngine: Empower LLM with Domain Knowledge for Protein Engineering | Apr 21, 2024 | In-Context LearningProtein Design | —Unverified | 0 |
| Annotation-guided Protein Design with Multi-Level Domain Alignment | Apr 18, 2024 | Protein AnnotationProtein Design | —Unverified | 0 |
| Using GANs for De Novo Protein Design Targeting Microglial IL-3Rα to Inhibit Alzheimer's Progression | Apr 5, 2024 | Protein Design | —Unverified | 0 |
| Diffusion on language model encodings for protein sequence generation | Mar 6, 2024 | DiversityLanguage Modeling | —Unverified | 0 |
| TaxDiff: Taxonomic-Guided Diffusion Model for Protein Sequence Generation | Feb 27, 2024 | Protein Design | CodeCode Available | 3 |
| Generative AI for Controllable Protein Sequence Design: A Survey | Feb 16, 2024 | Drug DiscoveryProtein Design | —Unverified | 0 |
| X-LoRA: Mixture of Low-Rank Adapter Experts, a Flexible Framework for Large Language Models with Applications in Protein Mechanics and Molecular Design | Feb 11, 2024 | graph constructionKnowledge Graphs | CodeCode Available | 3 |
| Generative Adversarial Model-Based Optimization via Source Critic Regularization | Feb 9, 2024 | Bayesian OptimizationProtein Design | CodeCode Available | 0 |
| Learning immune receptor representations with protein language models | Feb 6, 2024 | DiversityDrug Discovery | —Unverified | 0 |
| Enhancing the efficiency of protein language models with minimal wet-lab data through few-shot learning | Feb 3, 2024 | Few-Shot LearningLearning-To-Rank | —Unverified | 0 |
| ProtAgents: Protein discovery via large language model multi-agent collaborations combining physics and machine learning | Jan 27, 2024 | Language ModelingLanguage Modelling | CodeCode Available | 1 |
| Improved motif-scaffolding with SE(3) flow matching | Jan 8, 2024 | Data AugmentationDiversity | CodeCode Available | 3 |
| A framework for conditional diffusion modelling with applications in motif scaffolding for protein design | Dec 14, 2023 | DenoisingImage Outpainting | —Unverified | 0 |
| Progressive Multi-Modality Learning for Inverse Protein Folding | Dec 11, 2023 | cross-modal alignmentData Augmentation | CodeCode Available | 1 |
| Fast non-autoregressive inverse folding with discrete diffusion | Dec 5, 2023 | Protein Design | CodeCode Available | 1 |
| PDB-Struct: A Comprehensive Benchmark for Structure-based Protein Design | Nov 30, 2023 | Protein DesignProtein Structure Prediction | CodeCode Available | 0 |
| AI-predicted protein deformation encodes energy landscape | Nov 30, 2023 | Protein Design | —Unverified | 0 |
| De novo protein design using geometric vector field networks | Oct 18, 2023 | Protein Design | CodeCode Available | 1 |