% Key papers for Protein representation learning (scime atlas, https://atlas.scime.ai). Authors are not included: add them from the paper pages. @inproceedings{neurips2017_protein_56598, title = {{Protein Interface Prediction using Graph Convolutional Networks}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2017}, url = {https://nips.cc/virtual/2017/poster/9422}, } @inproceedings{neurips2019_generative_58332, title = {{Generative Models for Graph-Based Protein Design}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2019}, url = {https://nips.cc/virtual/2019/poster/14467}, } @inproceedings{iclr2021_learning_29966, title = {{Learning from Protein Structure with Geometric Vector Perceptrons}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2021}, url = {https://iclr.cc/virtual/2021/poster/3102}, } @inproceedings{iclr2022_iterative_31164, title = {{Iterative Refinement Graph Neural Network for Antibody Sequence-Structure Co-design}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2022}, url = {https://iclr.cc/virtual/2022/poster/6664}, } @inproceedings{iclr2022_ontoprotein_31857, title = {{OntoProtein: Protein Pretraining With Gene Ontology Embedding}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2022}, url = {https://iclr.cc/virtual/2022/poster/6505}, } @inproceedings{aaai2024_prot2text_7018, title = {{Prot2Text: Multimodal Protein’s Function Generation with GNNs and Transformers}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2024}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/28948}, } @inproceedings{neurips2016_protein_55945, title = {{Protein contact prediction from amino acid co-evolution using convolutional networks for graph-valued images}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2016}, url = {https://nips.cc/virtual/2016/poster/7421}, } @inproceedings{iclr2023_a_32062, title = {{A Graph Neural Network Approach to Automated Model Building in Cryo-EM Maps}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2023}, url = {https://iclr.cc/virtual/2023/poster/12154}, } @inproceedings{iclr2023_conditional_32427, title = {{Conditional Antibody Design as 3D Equivariant Graph Translation}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2023}, url = {https://iclr.cc/virtual/2023/poster/11821}, } @inproceedings{neurips2021_multi_61160, title = {{Multi-Scale Representation Learning on Proteins}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2021}, url = {https://nips.cc/virtual/2021/poster/27595}, } @inproceedings{iclr2021_intrinsic_30593, title = {{Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2021}, url = {https://iclr.cc/virtual/2021/poster/2878}, } @inproceedings{iclr2023_learning_32167, title = {{Learning Hierarchical Protein Representations via Complete 3D Graph Networks}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2023}, url = {https://iclr.cc/virtual/2023/poster/11707}, } @inproceedings{iclr2022_geometric_31008, title = {{Geometric Transformers for Protein Interface Contact Prediction}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2022}, url = {https://iclr.cc/virtual/2022/poster/6202}, } @inproceedings{cvpr2024_clustering_22976, title = {{Clustering for Protein Representation Learning}}, booktitle = {IEEE/CVF Conference on Computer Vision and Pattern Recognition (CVPR)}, year = {2024}, url = {https://cvpr.thecvf.com/virtual/2024/poster/29470}, } @inproceedings{icml2024_equipocket_43326, title = {{EquiPocket: an E(3)-Equivariant Geometric Graph Neural Network for Ligand Binding Site Prediction}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2024}, url = {https://icml.cc/virtual/2024/poster/35126}, } @inproceedings{iclr2024_evaluating_35429, title = {{Evaluating Representation Learning on the Protein Structure Universe}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2024}, url = {https://iclr.cc/virtual/2024/poster/17644}, } @inproceedings{aaai2024_protein_7020, title = {{Protein 3D Graph Structure Learning for Robust Structure-Based Protein Property Prediction}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2024}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/29161}, } @inproceedings{icml2025_boosting_47257, title = {{Boosting Protein Graph Representations through Static-Dynamic Fusion}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2025}, url = {https://icml.cc/virtual/2025/poster/45332}, } @inproceedings{neurips2023_a_69094, title = {{A Hierarchical Training Paradigm for Antibody Structure-sequence Co-design}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2023}, url = {https://nips.cc/virtual/2023/poster/70783}, } @inproceedings{neurips2024_motive_71555, title = {{MOTIVE: A Drug-Target Interaction Graph For Inductive Link Prediction}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/97758}, } @inproceedings{neurips2024_asep_72060, title = {{AsEP: Benchmarking Deep Learning Methods for Antibody-specific Epitope Prediction}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/97702}, } @inproceedings{iclr2025_atomsurf_81137, title = {{AtomSurf: Surface Representation for Learning on Protein Structures}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2025}, url = {https://iclr.cc/virtual/2025/poster/30633}, } @inproceedings{neurips2024_learning_70168, title = {{Learning Complete Protein Representation by Dynamically Coupling of Sequence and Structure}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/96915}, } @inproceedings{aaai2025_gobert_9350, title = {{GoBERT: Gene Ontology Graph Informed BERT for Universal Gene Function Prediction}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2025}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/32043}, } @inproceedings{neurips2024_learning_73459, title = {{Learning Superconductivity from Ordered and Disordered Material Structures}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/97553}, } @inproceedings{neurips2025_pring_79153, title = {{PRING: Rethinking Protein-Protein Interaction Prediction from Pairs to Graphs}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2025}, url = {https://openreview.net/forum?id=mHCOVlFXTw}, } @inproceedings{iclr2025_glycanml_83487, title = {{GlycanML: A Multi-Task and Multi-Structure Benchmark for Glycan Machine Learning}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2025}, url = {https://iclr.cc/virtual/2025/poster/28329}, } @inproceedings{aaai2025_m_10079, title = {{M²N: A Progressive Macro-to-Micro 3D Modeling Scheme for Unveiling Drug-Target Affinity}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2025}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/32039}, } @inproceedings{aaai2025_pscalpel_10255, title = {{PScalpel: A Machine Learning-based Guider for Protein Phase-Separating Behaviour Alteration}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2025}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/32065}, } @inproceedings{icml2026_learning_54459, title = {{Learning the Interaction Prior for Protein-Protein Interaction Prediction: A Model-Agnostic Approach}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2026}, url = {https://openreview.net/forum?id=p7PPMKTPJp}, } @inproceedings{iclr2025_beyond_81096, title = {{Beyond Sequence: Impact of Geometric Context for RNA Property Prediction}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2025}, url = {https://iclr.cc/virtual/2025/poster/30672}, } @inproceedings{iclr2026_kgot_86864, title = {{KGOT: Unified Knowledge Graph and Optimal Transport Pseudo-Labeling for Molecule-Protein Interaction Prediction}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2026}, url = {https://openreview.net/forum?id=UoYdZQIZWj}, } @inproceedings{aaai2026_topology_99859, title = {{Topology-Enhanced and Label Correlation-Aware Model for Protein-Protein Interaction Prediction}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2026}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/36980}, }