% Key papers for Protein fitness and variant effect prediction (scime atlas, https://atlas.scime.ai). Authors are not included: add them from the paper pages. @inproceedings{neurips2021_language_63397, title = {{Language models enable zero-shot prediction of the effects of mutations on protein function}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2021}, url = {https://nips.cc/virtual/2021/poster/26354}, } @inproceedings{neurips2021_flip_63187, title = {{FLIP: Benchmark tasks in fitness landscape inference for proteins}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2021}, url = {https://openreview.net/forum?id=p2dMLEwL8tF}, } @inproceedings{icml2022_tranception_41286, title = {{Tranception: Protein Fitness Prediction with Autoregressive Transformers and Inference-time Retrieval}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2022}, url = {https://icml.cc/virtual/2022/poster/18181}, } @inproceedings{icml2022_de_40411, title = {{De novo mass spectrometry peptide sequencing with a transformer model}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2022}, url = {https://icml.cc/virtual/2022/poster/16795}, } @inproceedings{neurips2023_proteingym_68296, title = {{ProteinGym: Large-Scale Benchmarks for Protein Fitness Prediction and Design}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2023}, url = {https://nips.cc/virtual/2023/poster/73578}, } @inproceedings{iclr2025_protein_82348, title = {{Protein Language Model Fitness is a Matter of Preference}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2025}, url = {https://iclr.cc/virtual/2025/poster/29443}, } @inproceedings{neurips2023_proteinnpt_67195, title = {{ProteinNPT: Improving Protein Property Prediction and Design with Non-Parametric Transformers}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2023}, url = {https://nips.cc/virtual/2023/poster/72519}, } @inproceedings{iclr2025_iggm_84178, title = {{IgGM: A Generative Model for Functional Antibody and Nanobody Design}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2025}, url = {https://iclr.cc/virtual/2025/poster/27650}, } @inproceedings{icml2022_biological_40288, title = {{Biological Sequence Design with GFlowNets}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2022}, url = {https://icml.cc/virtual/2022/poster/17337}, } @inproceedings{neurips2022_non_64313, title = {{Non-identifiability and the Blessings of Misspecification in Models of Molecular Fitness}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2022}, url = {https://nips.cc/virtual/2022/poster/53815}, } @inproceedings{neurips2023_predicting_68534, title = {{Predicting a Protein's Stability under a Million Mutations}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2023}, url = {https://nips.cc/virtual/2023/poster/71293}, } @inproceedings{neurips2023_openproteinset_69020, title = {{OpenProteinSet: Training data for structural biology at scale}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2023}, url = {https://nips.cc/virtual/2023/poster/73507}, } @inproceedings{icml2023_end_43209, title = {{End-to-End Full-Atom Antibody Design}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2023}, url = {https://icml.cc/virtual/2023/poster/24962}, } @inproceedings{iclr2024_mape_35028, title = {{MAPE-PPI: Towards Effective and Efficient Protein-Protein Interaction Prediction via Microenvironment-Aware Protein Embedding}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2024}, url = {https://iclr.cc/virtual/2024/poster/18046}, } @inproceedings{neurips2024_reactzyme_74507, title = {{ReactZyme: A Benchmark for Enzyme-Reaction Prediction}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/97442}, } @inproceedings{aaai2024_cross_5527, title = {{Cross-Gate MLP with Protein Complex Invariant Embedding Is a One-Shot Antibody Designer}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2024}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/29445}, } @inproceedings{icml2021_a_38987, title = {{A Structured Observation Distribution for Generative Biological Sequence Prediction and Forecasting}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2021}, url = {https://icml.cc/virtual/2021/poster/9725}, } @inproceedings{neurips2023_avida_67246, title = {{AVIDa-hIL6: A Large-Scale VHH Dataset Produced from an Immunized Alpaca for Predicting Antigen-Antibody Interactions}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2023}, url = {https://nips.cc/virtual/2023/poster/73664}, } @inproceedings{icml2024_learning_45011, title = {{Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical Prompt Learning}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2024}, url = {https://icml.cc/virtual/2024/poster/33441}, } @inproceedings{neurips2020_learning_60184, title = {{Learning Mutational Semantics}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2020}, url = {https://nips.cc/virtual/2020/poster/17418}, } @inproceedings{neurips2025_from_76507, title = {{From Likelihood to Fitness: Improving Variant Effect Prediction in Protein and Genome Language Models}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2025}, url = {https://openreview.net/forum?id=K6M7QmN1wQ}, } @inproceedings{neurips2024_ultrafast_71397, title = {{Ultrafast classical phylogenetic method beats large protein language models on variant effect prediction}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/95854}, } @inproceedings{iclr2025_hotspot_83194, title = {{Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2025}, url = {https://iclr.cc/virtual/2025/poster/28614}, } @inproceedings{aaai2025_synergy_10887, title = {{Synergy of GFlowNet and Protein Language Model Makes a Diverse Antibody Designer}}, booktitle = {AAAI Conference on Artificial Intelligence (AAAI)}, year = {2025}, url = {https://ojs.aaai.org/index.php/AAAI/article/view/34370}, } @inproceedings{icml2024_geoab_43550, title = {{GeoAB: Towards Realistic Antibody Design and Reliable Affinity Maturation}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2024}, url = {https://icml.cc/virtual/2024/poster/34902}, } @inproceedings{iclr2025_metalic_82250, title = {{Metalic: Meta-Learning In-Context with Protein Language Models}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2025}, url = {https://iclr.cc/virtual/2025/poster/29540}, } @inproceedings{iclr2026_a_84976, title = {{A New Paradigm for Genome-wide DNA Methylation Prediction Without Methylation Input}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2026}, url = {https://openreview.net/forum?id=8wQ7Oc08vo}, } @inproceedings{icml2025_affinityflow_46831, title = {{AffinityFlow: Guided Flows for Antibody Affinity Maturation}}, booktitle = {International Conference on Machine Learning (ICML)}, year = {2025}, url = {https://icml.cc/virtual/2025/poster/45745}, } @inproceedings{neurips2024_generalized_72571, title = {{Generalized Protein Pocket Generation with Prior-Informed Flow Matching}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/94801}, } @inproceedings{neurips2024_gflownet_73269, title = {{GFlowNet Assisted Biological Sequence Editing}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/94171}, } @inproceedings{neurips2024_prospect_73444, title = {{PROSPECT PTMs: Rich Labeled Tandem Mass Spectrometry Dataset of Modified Peptides for Machine Learning in Proteomics}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2024}, url = {https://neurips.cc/virtual/2024/poster/97558}, } @inproceedings{neurips2025_augmenting_76519, title = {{Augmenting Biological Fitness Prediction Benchmarks with Landscapes Features from GraphFLA}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2025}, url = {https://openreview.net/forum?id=KI8XRNjPI2}, } @inproceedings{iclr2025_multi_80685, title = {{Multi-Modal and Multi-Attribute Generation of Single Cells with CFGen}}, booktitle = {International Conference on Learning Representations (ICLR)}, year = {2025}, url = {https://iclr.cc/virtual/2025/poster/31082}, } @inproceedings{neurips2026_virogym_91331, title = {{ViroGym: Realistic Large-Scale Benchmarks for Evaluating Viral Proteins}}, booktitle = {Advances in Neural Information Processing Systems (NeurIPS)}, year = {2026}, url = {https://neurips.cc/virtual/2026/poster/139039}, }