% Key papers for Generative protein structure design (scime atlas, https://atlas.scime.ai). Authors are not included: add them from the paper pages. @inproceedings{neurips2018_generative_57171, title = {{Generative modeling for protein structures}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2018}, url = {https://nips.cc/virtual/2018/poster/11721}, } @inproceedings{iclr2023_diffusion_32073, title = {{Diffusion Probabilistic Modeling of Protein Backbones in 3D for the motif-scaffolding problem}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2023}, url = {https://iclr.cc/virtual/2023/poster/11916}, } @inproceedings{iclr2019_learning_28833, title = {{Learning Protein Structure with a Differentiable Simulator}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2019}, url = {https://iclr.cc/virtual/2019/poster/959}, } @inproceedings{icml2024_alphafold_45514, title = {{AlphaFold Meets Flow Matching for Generating Protein Ensembles}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2024}, url = {https://icml.cc/virtual/2024/poster/32938}, } @inproceedings{aaai2016_must_104720, title = {{MUST-CNN: A Multilayer Shift-and-Stitch Deep Convolutional Architecture for Sequence-Based Protein Structure Prediction}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2016}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/10007}, } @inproceedings{icml2023_generating_41556, title = {{Generating Novel, Designable, and Diverse Protein Structures by Equivariantly Diffusing Oriented Residue Clouds}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2023}, url = {https://icml.cc/virtual/2023/poster/24633}, } @inproceedings{icml2022_proximal_41050, title = {{Proximal Exploration for Model-guided Protein Sequence Design}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2022}, url = {https://icml.cc/virtual/2022/poster/17763}, } @inproceedings{icml2021_fold2seq_39358, title = {{Fold2Seq: A Joint Sequence(1D)-Fold(3D) Embedding-based Generative Model for Protein Design}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2021}, url = {https://icml.cc/virtual/2021/poster/9593}, } @inproceedings{iclr2024_se_35093, title = {{SE(3)-Stochastic Flow Matching for Protein Backbone Generation}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2024}, url = {https://iclr.cc/virtual/2024/poster/17980}, } @inproceedings{iclr2023_protein_33198, title = {{Protein Sequence and Structure Co-Design with Equivariant Translation}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2023}, url = {https://iclr.cc/virtual/2023/poster/10731}, } @inproceedings{icml2023_chemically_41659, title = {{Chemically Transferable Generative Backmapping of Coarse-Grained Proteins}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2023}, url = {https://icml.cc/virtual/2023/poster/24126}, } @inproceedings{icml2024_generative_45195, title = {{Generative Flows on Discrete State-Spaces: Enabling Multimodal Flows with Applications to Protein Co-Design}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2024}, url = {https://icml.cc/virtual/2024/poster/33257}, } @inproceedings{icml2025_p_49099, title = {{P(all-atom) Is Unlocking New Path For Protein Design}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2025}, url = {https://icml.cc/virtual/2025/poster/43525}, } @inproceedings{iclr2024_str2str_33887, title = {{Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2024}, url = {https://iclr.cc/virtual/2024/poster/19188}, } @inproceedings{aaai2025_bridging_8310, title = {{Bridging Sequence-Structure Alignment in RNA Foundation Models}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2025}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/35500}, } @inproceedings{icml2024_rnaflow_45173, title = {{RNAFlow: RNA Structure \& Sequence Design via Inverse Folding-Based Flow Matching}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2024}, url = {https://icml.cc/virtual/2024/poster/33279}, } @inproceedings{icml2025_sidechain_46606, title = {{Sidechain conditioning and modeling for full-atom protein sequence design with FAMPNN}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2025}, url = {https://icml.cc/virtual/2025/poster/45963}, } @inproceedings{cvpr2023_fff_20961, title = {{FFF: Fragment-Guided Flexible Fitting for Building Complete Protein Structures}}, booktitle = {IEEE/CVF Conference on Computer Vision and Pattern Recognition (CVPR)}, year = {2023}, url = {https://cvpr.thecvf.com/virtual/2023/poster/22761}, } @inproceedings{icml2025_inverse_48710, title = {{Inverse problems with experiment-guided AlphaFold}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2025}, url = {https://icml.cc/virtual/2025/poster/43912}, } @inproceedings{neurips2022_exploring_65049, title = {{Exploring evolution-aware \& -free protein language models as protein function predictors}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2022}, url = {https://nips.cc/virtual/2022/poster/54277}, } @inproceedings{neurips2024_sequence_73970, title = {{Sequence-Augmented SE(3)-Flow Matching For Conditional Protein Generation}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/93544}, } @inproceedings{neurips2025_multiscale_77366, title = {{Multiscale guidance of protein structure prediction with heterogeneous cryo-EM data}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2025}, url = {https://openreview.net/forum?id=T3DF4yxcPz}, } @inproceedings{icml2024_surfpro_44753, title = {{SurfPro: Functional Protein Design Based on Continuous Surface}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2024}, url = {https://icml.cc/virtual/2024/poster/33699}, } @inproceedings{neurips2024_full_71476, title = {{Full-Atom Peptide Design with Geometric Latent Diffusion}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/95784}, } @inproceedings{iclr2025_fast_80576, title = {{Fast Uncovering of Protein Sequence Diversity from Structure}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2025}, url = {https://iclr.cc/virtual/2025/poster/32112}, } @inproceedings{iclr2025_proteinbench_81217, title = {{ProteinBench: A Holistic Evaluation of Protein Foundation Models}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2025}, url = {https://iclr.cc/virtual/2025/poster/30553}, } @inproceedings{iclr2026_simplefold_84260, title = {{SimpleFold: Folding Proteins is Simpler than You Think}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2026}, url = {https://openreview.net/forum?id=0j0MmK7EMA}, } @inproceedings{aaai2025_cryodomain_8573, title = {{CryoDomain: Sequence-free Protein Domain Identification from Low-resolution Cryo-EM Density Maps}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2025}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/31987}, } @inproceedings{aaai2025_prifold_10352, title = {{PriFold: Biological Priors Improve RNA Secondary Structure Predictions}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2025}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/32080}, } @inproceedings{aaai2025_dyab_11331, title = {{dyAb: Flow Matching for Flexible Antibody Design with AlphaFold-driven Pre-binding Antigen}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2025}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/32061}, } @inproceedings{icml2024_full_43494, title = {{Full-Atom Peptide Design based on Multi-modal Flow Matching}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2024}, url = {https://icml.cc/virtual/2024/poster/34958}, }