| Generative artificial intelligence for de novo protein design | Oct 15, 2023 | Protein Design | —Unverified | 0 |
| Score-Based Generative Models for Designing Binding Peptide Backbones | Oct 10, 2023 | DiversityProtein Design | CodeCode Available | 1 |
| DockGame: Cooperative Games for Multimeric Rigid Protein Docking | Oct 9, 2023 | Protein Design | —Unverified | 0 |
| Fast protein backbone generation with SE(3) flow matching | Oct 8, 2023 | Protein Design | CodeCode Available | 2 |
| Expected flow networks in stochastic environments and two-player zero-sum games | Oct 4, 2023 | Protein Design | CodeCode Available | 0 |
| Backdiff: a diffusion model for generalized transferable protein backmapping | Oct 3, 2023 | Drug DiscoveryProtein Design | —Unverified | 0 |
| Boosting AND/OR-Based Computational Protein Design: Dynamic Heuristics and Generalizable UFO | Aug 31, 2023 | Protein Design | —Unverified | 0 |
| OpenProteinSet: Training data for structural biology at scale | Aug 10, 2023 | Protein DesignProtein Structure Prediction | CodeCode Available | 4 |
| Hypergraph Isomorphism Computation | Jul 26, 2023 | Community DetectionGraph Classification | CodeCode Available | 2 |
| Metropolis Sampling for Constrained Diffusion Models | Jul 11, 2023 | Computational EfficiencyDenoising | —Unverified | 0 |
| Practical and Asymptotically Exact Conditional Sampling in Diffusion Models | Jun 30, 2023 | Computational EfficiencyConditional Image Generation | CodeCode Available | 1 |
| Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Models | Jun 13, 2023 | Catalytic activity predictionChemical-Disease Interaction Extraction | CodeCode Available | 2 |
| Gradient-Informed Quality Diversity for the Illumination of Discrete Spaces | Jun 8, 2023 | DiversityDrug Discovery | —Unverified | 0 |
| 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 |
| Robust Model-Based Optimization for Challenging Fitness Landscapes | May 23, 2023 | Benchmarkingmodel | CodeCode Available | 0 |
| Knowledge-Design: Pushing the Limit of Protein Design via Knowledge Refinement | May 20, 2023 | Protein DesignRetrieval | CodeCode Available | 2 |
| Scalable Coupling of Deep Learning with Logical Reasoning | May 12, 2023 | Deep LearningLogical Reasoning | CodeCode Available | 0 |
| Diffusion Models for Constrained Domains | Apr 11, 2023 | DenoisingImage Generation | CodeCode Available | 1 |
| DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models | Apr 8, 2023 | Drug DiscoveryProtein Design | CodeCode Available | 2 |
| CCPL: Cross-modal Contrastive Protein Learning | Mar 19, 2023 | Language ModelingLanguage Modelling | —Unverified | 0 |
| Protein Sequence Design with Batch Bayesian Optimisation | Mar 18, 2023 | Bayesian OptimisationBayesian Optimization | CodeCode Available | 0 |
| Diffusion Models in Bioinformatics: A New Wave of Deep Learning Revolution in Action | Feb 13, 2023 | DenoisingProtein Design | —Unverified | 0 |
| 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 |
| 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 |
| Protein Structure Prediction until CASP15 | Dec 15, 2022 | PredictionProtein Design | —Unverified | 0 |
| 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 |
| Unsupervisedly Prompting AlphaFold2 for Few-Shot Learning of Accurate Folding Landscape and Protein Structure Prediction | Aug 20, 2022 | DenoisingFew-Shot Learning | CodeCode Available | 0 |
| ProGen2: Exploring the Boundaries of Protein Language Models | Jun 27, 2022 | Protein Design | CodeCode Available | 2 |
| Robust deep learning based protein sequence design using ProteinMPNN | Jun 4, 2022 | Deep LearningDrug Discovery | CodeCode Available | 3 |
| RITA: a Study on Scaling Up Generative Protein Sequence Models | May 11, 2022 | PredictionProtein Design | CodeCode Available | 2 |
| TERMinator: A Neural Framework for Structure-Based Protein Design using Tertiary Repeating Motifs | Apr 27, 2022 | Protein Design | —Unverified | 0 |
| 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 |
| Gate-based Quantum Computing for Protein Design | Jan 29, 2022 | Protein Design | CodeCode Available | 0 |
| Controllable Protein Design with Language Models | Jan 18, 2022 | Protein DesignText Generation | —Unverified | 0 |
| Benchmarking deep generative models for diverse antibody sequence design | Nov 12, 2021 | BenchmarkingDiversity | —Unverified | 0 |
| Iterative Refinement Graph Neural Network for Antibody Sequence-Structure Co-design | Oct 9, 2021 | Graph Neural NetworkProtein Design | CodeCode Available | 1 |
| Fast fixed-backbone protein sequence and rotamer design | Sep 29, 2021 | Graph AttentionImitation Learning | —Unverified | 0 |
| Design in the Dark: Learning Deep Generative Models for De Novo Protein Design | Sep 29, 2021 | Protein Design | —Unverified | 0 |
| PDBench: Evaluating Computational Methods for Protein Sequence Design | Sep 16, 2021 | Protein Design | —Unverified | 0 |
| Deep Generative Modeling for Protein Design | Aug 31, 2021 | image-classificationImage Classification | —Unverified | 0 |
| Fold2Seq: A Joint Sequence(1D)-Fold(3D) Embedding-based Generative Model for Protein Design | Jun 24, 2021 | Protein Design | CodeCode Available | 1 |
| ProDCoNN-server: a web server for protein sequence prediction and design from a three-dimensional structure | Apr 11, 2021 | PredictionProtein Design | CodeCode Available | 0 |
| Efficient generative modeling of protein sequences using simple autoregressive models | Mar 4, 2021 | Protein Design | —Unverified | 0 |
| Mimetic Neural Networks: A unified framework for Protein Design and Folding | Feb 7, 2021 | BIG-bench Machine LearningProtein Design | —Unverified | 0 |