| OpenProteinSet: Training data for structural biology at scale | Aug 10, 2023 | Protein DesignProtein Structure Prediction | CodeCode Available | 4 |
| Proteina: Scaling Flow-based Protein Structure Generative Models | Mar 2, 2025 | Protein Design | CodeCode Available | 3 |
| A General Framework for Inference-time Scaling and Steering of Diffusion Models | Jan 12, 2025 | Protein Design | CodeCode Available | 3 |
| TaxDiff: Taxonomic-Guided Diffusion Model for Protein Sequence Generation | Feb 27, 2024 | Protein Design | CodeCode Available | 3 |
| 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 |
| Improved motif-scaffolding with SE(3) flow matching | Jan 8, 2024 | Data AugmentationDiversity | CodeCode Available | 3 |
| Robust deep learning based protein sequence design using ProteinMPNN | Jun 4, 2022 | Deep LearningDrug Discovery | CodeCode Available | 3 |
| ReQFlow: Rectified Quaternion Flow for Efficient and High-Quality Protein Backbone Generation | Feb 20, 2025 | 3D Molecule GenerationProtein Design | CodeCode Available | 2 |
| MotifBench: A standardized protein design benchmark for motif-scaffolding problems | Feb 18, 2025 | Protein DesignProtein Structure Prediction | CodeCode Available | 2 |
| Concept Bottleneck Language Models For protein design | Nov 9, 2024 | Decision MakingDrug Discovery | CodeCode Available | 2 |
| 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 |
| RNAFlow: RNA Structure & Sequence Design via Inverse Folding-Based Flow Matching | May 29, 2024 | DenoisingProtein Design | CodeCode Available | 2 |
| 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 |
| Fast protein backbone generation with SE(3) flow matching | Oct 8, 2023 | Protein Design | CodeCode Available | 2 |
| Hypergraph Isomorphism Computation | Jul 26, 2023 | Community DetectionGraph Classification | CodeCode Available | 2 |
| Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Models | Jun 13, 2023 | Catalytic activity predictionChemical-Disease Interaction Extraction | CodeCode Available | 2 |
| Knowledge-Design: Pushing the Limit of Protein Design via Knowledge Refinement | May 20, 2023 | Protein DesignRetrieval | CodeCode Available | 2 |
| DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models | Apr 8, 2023 | Drug DiscoveryProtein Design | CodeCode Available | 2 |
| A Text-guided Protein Design Framework | Feb 9, 2023 | DecoderProperty Prediction | CodeCode Available | 2 |
| Geometry-Complete Diffusion for 3D Molecule Generation and Optimization | Feb 8, 2023 | 3D Molecule GenerationDenoising | CodeCode Available | 2 |
| ProGen2: Exploring the Boundaries of Protein Language Models | Jun 27, 2022 | Protein Design | CodeCode Available | 2 |
| RITA: a Study on Scaling Up Generative Protein Sequence Models | May 11, 2022 | PredictionProtein Design | CodeCode Available | 2 |
| Diffusion Sequence Models for Enhanced Protein Representation and Generation | Jun 9, 2025 | Language ModelingLanguage Modelling | CodeCode Available | 1 |
| Improving large language models with concept-aware fine-tuning | Jun 9, 2025 | Protein DesignText Summarization | CodeCode Available | 1 |
| Controllable Protein Sequence Generation with LLM Preference Optimization | Jan 25, 2025 | AttributeProtein Design | CodeCode Available | 1 |
| Bridge-IF: Learning Inverse Protein Folding with Markov Bridges | Nov 4, 2024 | Protein DesignProtein Folding | CodeCode Available | 1 |
| Peptide-GPT: Generative Design of Peptides using Generative Pre-trained Transformers and Bio-informatic Supervision | Oct 25, 2024 | Language ModellingProtein Design | CodeCode Available | 1 |
| Reinforcement learning on structure-conditioned categorical diffusion for protein inverse folding | Oct 22, 2024 | DiversityProtein Design | CodeCode Available | 1 |
| Geometric Trajectory Diffusion Models | Oct 16, 2024 | Protein Design | CodeCode Available | 1 |
| Metalic: Meta-Learning In-Context with Protein Language Models | Oct 10, 2024 | In-Context LearningMeta-Learning | CodeCode Available | 1 |
| Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design | Jul 16, 2024 | Drug DiscoveryOut-of-Distribution Generalization | CodeCode Available | 1 |
| Learning the Language of Protein Structure | May 24, 2024 | Protein DesignRepresentation Learning | CodeCode Available | 1 |
| ProtAgents: Protein discovery via large language model multi-agent collaborations combining physics and machine learning | Jan 27, 2024 | Language ModelingLanguage Modelling | CodeCode Available | 1 |
| 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 |
| De novo protein design using geometric vector field networks | Oct 18, 2023 | Protein Design | CodeCode Available | 1 |
| Score-Based Generative Models for Designing Binding Peptide Backbones | Oct 10, 2023 | DiversityProtein Design | CodeCode Available | 1 |
| Practical and Asymptotically Exact Conditional Sampling in Diffusion Models | Jun 30, 2023 | Computational EfficiencyConditional Image Generation | CodeCode Available | 1 |
| Protein Design with Guided Discrete Diffusion | May 31, 2023 | Bayesian OptimizationDenoising | CodeCode Available | 1 |
| Improving few-shot learning-based protein engineering with evolutionary sampling | May 23, 2023 | Few-Shot LearningProtein Design | CodeCode Available | 1 |
| Diffusion Models for Constrained Domains | Apr 11, 2023 | DenoisingImage Generation | CodeCode Available | 1 |
| Generating Novel, Designable, and Diverse Protein Structures by Equivariantly Diffusing Oriented Residue Clouds | Jan 29, 2023 | DenoisingProtein Design | CodeCode Available | 1 |
| RDesign: Hierarchical Data-efficient Representation Learning for Tertiary Structure-based RNA Design | Jan 25, 2023 | Contrastive LearningProtein Design | CodeCode Available | 1 |
| AlphaFold Distillation for Protein Design | Oct 5, 2022 | DiversityDrug Discovery | CodeCode Available | 1 |
| PiFold: Toward effective and efficient protein inverse folding | Sep 22, 2022 | DecoderProtein Design | CodeCode Available | 1 |
| Generative De Novo Protein Design with Global Context | Apr 21, 2022 | Protein DesignProtein Structure Prediction | CodeCode Available | 1 |
| Generative power of a protein language model trained on multiple sequence alignments | Apr 14, 2022 | Language ModelingLanguage Modelling | CodeCode Available | 1 |
| AlphaDesign: A graph protein design method and benchmark on AlphaFoldDB | Feb 1, 2022 | DecoderProtein Design | CodeCode Available | 1 |
| Iterative Refinement Graph Neural Network for Antibody Sequence-Structure Co-design | Oct 9, 2021 | Graph Neural NetworkProtein Design | CodeCode Available | 1 |
| Fold2Seq: A Joint Sequence(1D)-Fold(3D) Embedding-based Generative Model for Protein Design | Jun 24, 2021 | Protein Design | CodeCode Available | 1 |