ICLR 2026 Past GenomicsGenerative models

ICLR 2026 Workshop on Generative and Experimental Perspectives for Biomolecular Design

GEM 2026

Submission deadline
Feb 6, 2026, 13:59 UTC
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Submission portal
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Auto-imported from the OpenReview venue record on 2026-06-10 — please verify and enrich (topics are keyword-guessed).

Accepted papers (76)

Fetched from OpenReview (v2) on 2026-06-10.

  1. A novel combinatorial high-throughput assay of small molecules and their protein targets

    Simon P Shen, Brian B. Liau · PDF
  2. A Prospective Experimental Assessment of Structure-Based Drug Design: Are We There Yet?

    Maximilian G. Schuh, Joshua Hesse, Konstantin Eckel, Quy Cong Van, Niklas Halbwedl, Frederik Weber, Andres Jäschke, Martin Zacharias, Stephan A. Sieber · PDF
  3. A Unified Computational Framework for the Integration of AI Models in Structure-Based Drug Design

    Luna Pianesi, Alexander Schoenhuth · PDF
  4. AbDD: Experimentally Validated Antibody Developability Optimization via Discrete Diffusion

    Oliver M. Turnbull, Alexander Nicholas St John, Alec Nelson Thomas, Charlotte Deane · PDF
  5. Accelerating Protein Molecular Dynamics Simulation with DeepJump

    Allan Dos Santos Costa, Manvitha Ponnapati, Dana Rubin, Tess Smidt, JOSEPH JACOBSON · PDF
  6. Accelerating Scientific Discovery with Autonomous Goal-evolving Agents

    Yuanqi Du, Botao Yu, Tianyu Liu, Tony Shen, Junwu Chen, Jan G. Rittig, Kunyang Sun, Yikun Zhang, Cassandra Masschelein, Yingze Wang, Haorui Wang, Haojun Jia, Chao Zhang, Hongyu Zhao, Martin Ester, Teresa Head-Gordon, Carla P Gomes, Huan Sun, Chenru Duan, Philippe Schwaller, Wengong Jin · PDF
  7. AF3Design: Selectivity–Aware Nanobody Design with AlphaFold3

    Anisha Parsan, Robin Pan, Caroline Uhler, Wengong Jin · PDF
  8. AlphaFast: High-throughput AlphaFold 3 via GPU-accelerated MSA construction

    Benjamin C. Perry, Jeonghyeon Kim, Philip Romero · PDF
  9. An Integrated Computational-Experimental Platform for Holistic mRNA Sequence Design, Build, Test, and Learn

    Anmol Seth, Adam Snider, Celeste B Marsan, Vanessa Vang · PDF
  10. Antibody design with steerable discrete diffusion

    Hugh Yeh, Niksa Praljak, Zhijie Chen, Thomas M. Walsh, Juan L. Mendoza, Jun Huang, Andrew Ferguson · PDF
  11. Antigen-specific Antibody Multi-modal Foundation Model for Functional Antibody Design

    Zichen Wang, Runze Ma, Xiaoliang Shi, Zhongyue Zhang, Shuangjia Zheng · PDF
  12. AReUReDi: Annealed Rectified Updates for Refining Discrete Flows with Multi-Objective Guidance

    Tong Chen, Yinuo Zhang, Sophia Vincoff, Pranam Chatterjee · PDF
  13. Autoregressive Boltzmann Generators

    Danyal Rehman, Charlie B. Tan, Yoshua Bengio, Joey Bose, Alexander Tong · PDF
  14. Biologically-Grounded Multi-Encoder Architectures as Developability Oracles for Antibody Design

    Simon J. Crouzet · PDF
  15. Boltz2ESI: Accurate Enzyme Specificity Prediction with Co-folding Foundation Model

    Xiwei Cheng, Seonghwan Seo, Jihang Chen, Songlin Jiang, Pengkang Guo, Wengong Jin · PDF
  16. Bonobo: Efficient Library-Scale Generation for De Novo Antibody Design

    Sebastian W. Ober, Nick Bhattacharya, Phillip Maffettone, Calvin McCarter, Hunter Elliott · PDF
  17. Branching Flows: Discrete, Continuous, and Manifold Flow Matching with Splits and Deletions

    Lukas Billera, Hedwig Nora Nordlinder, Jack Collier Ryder, Anton Oresten, Aron Stålmarck, Theodor Mosetti Björk, Ben Murrell · PDF
  18. CausalBind: Causal Concept Alignment for Protein-Ligand Virtual Screening

    Loka Li, Jin Tian, Kun Zhang · PDF
  19. CHIMERA-Bench: A Benchmark Dataset for Epitope-Specific Antibody Design

    Mansoor Ahmed, Nadeem Taj, Imdad Ullah Khan, Hemanth Venkateswara, Murray Patterson · PDF
  20. Comparing Selectivity-Aware Generative AI and Library Screening in a Virtual DMT Cycle

    Amit Kadan, Erika Lloyd, Andrew Wildman, Leo Zhang, Steffen Ridderbusch · PDF
  21. Conditional Monte Carlo Tree Diffusion for Designing Cell-Type-Specific and Biologically Faithful Regulatory DNA

    Animesh Awasthi, Raphael Bednarsky, Moritz Schaefer, Christoph Bock · PDF
  22. Conditionally Site-Independent Neural Evolution of Antibody Sequences

    Stephen Zhewen Lu, Aakarsh Vermani, Kohei Sanno, Jiarui Lu, Frederick A Matsen, Milind Jagota, Yun S. Song · PDF
  23. Conditioning Protein Language Models Using High-Throughput Sequence-Fitness Data Collection

    Sonia C. Yuan, Jason Yang, Jinbei Li, Bastian Vogeli, Simon R. Krarup, Emily D. Roberts, Bjarke Erichsen, Vanessa Hurtado Mujica, Kenan Jijakli, Søren Karst, Lei Yang, Alex Toftgaard Nielsen, Tyler Paz Korman, Frances H. Arnold · PDF
  24. DeepPrime7: Predicting PE7 Prime Editing Efficiency Across PAM Variants

    Yumin Cheong, Yunyoung Choi, Hui Kwon Kim, Hyongbum Henry Kim · PDF
  25. Design of phase-separating biosystem via joint diffusion and positive-unlabeled guidance

    Peiran Jiang, Adrita Das, Weifeng Wu, Simran Sodhi, Huaiying Zhang, Jose Lugo-Martinez · PDF
  26. Discovery of Bioresorbable Polymer Suture Coatings for Controlled Tissue Regeneration with Multimodal Foundation Models

    Raghav Ramji · PDF
  27. ECLIPSE: A Composable Pipeline for Predicting ecDNA Formation, Evolution, and Therapeutic Vulnerabilities in Cancer

    Bryan Cheng, Jasper Zhang · PDF
  28. Efficient, Few-shot Directed Evolution with Energy Rank Alignment

    Sebastian Ibarraran, Shriram Chennakesavalu, Frank Hu, Grant M. Rotskoff · PDF
  29. Folding scFv--Antigen Complexes at Scale

    Ravi Shah, Jeffrey Ouyang-Zhang, Zachary Cohen, Maria Rosaria Briglia, Chi Zhang, Adam Klivans, Daniel Jesus Diaz · PDF
  30. FoldSAE: Learning To Steer Protein Folding Through Sparse Representations

    Wojciech Zarzecki, Paulina Szymczak, Ewa Szczurek, Kamil Deja · PDF
  31. From Structure to Function: Preference Alignment for Function-Aware Protein Inverse Folding

    Tamatgar Nilufer, Soobin Park, Yinghua Yao, Xixian Chen, Yuangang Pan · PDF
  32. Generalized Multi-State Protein Design with AlphaFold3

    Xiwei Cheng, Pengkang Guo, Seonghwan Seo, Casper A. Goverde, Wengong Jin · PDF
  33. Generative inverse design of RNA structure and function with gRNAde

    Chaitanya K. Joshi, Edoardo Gianni, Samantha L. Y. Kwok, Simon V Mathis, Pietro Lio, Philipp Holliger · PDF
  34. GNMCADS: Sampling For Protein Conformation Diversity With Gaussian Network Model Based Condition Annealed Diffusion Sampler

    Ahmed Selim Üzüm, Turkan Haliloglu · PDF
  35. HallmarkAge: Binarized Hallmark-Aware Transcriptomic Clocks to Discover Aging Mechanisms

    Saleem Abdul Fattah Ahmed Al Dajani, Elvira Kinzina, Juhyung Jung, Owen Mulledy, Gonzalo Cardenal-Antolin, Patrick T. Paine, Bohan Zhang, Dmitrii Glubokov, Alexander Tyshkovskiy, John R Williams, Jesse R. Poganik, Vadim N. Gladyshev, Jonathan S. Gootenberg, Omar Abudayyeh · PDF
  36. Hit Expansion via Localized Exploration of Synthesizable Chemical Space

    Yidong Jin, Walter Virany, Andrew Lian, Amir Mehdi Soufi Enayati, Piotr Gaiński, Michał Koziarski · PDF
  37. How to make the most of your masked language model for protein engineering

    Calvin McCarter, Nick Bhattacharya, Sebastian W. Ober, Hunter Elliott · PDF
  38. Hybrid interpretable biophysical modeling of fluorescent protein biosensor function

    John N. Koberstein, Alison G. Tebo, Srinivas C Turaga · PDF
  39. IN SILICO GENERATIVE DESIGN OF CHEMICALLY MODIFIED RNA SEQUENCES FOR FUNCTIONAL PREDICTION

    Mahule Roy, Subhas Roy · PDF
  40. Inference-time optimization for experiment-grounded protein ensemble generation

    Sai Advaith Maddipatla, Anar Rzayev, Marco Pegoraro, Ailie Marx, Martin Pacesa, Paul Schanda, Sanketh Vedula, Alexander Bronstein · PDF
  41. Inference-Time Toxicity Mitigation in Protein Language Models via Logit-Diff Amplification

    Manuel Fernández Burda, Santiago Aranguri, Iván Arcuschin, Enzo Ferrante · PDF
  42. Information-Theoretic Requirements for Gradient-Based Task Affinity Estimation in Multi-Task Learning

    Jasper Zhang, Bryan Cheng · PDF
  43. JUST ADD STRUCTURE: PROTEIN LANGUAGE MODELS COMBINED WITH STRUCTURAL EQUIVARIANCE EXCEL AT PROTEIN TASKS

    Qurat ul ain, Yee Whye Teh, Carlos Outeiral, Matteo Cagiada, Charlotte Deane · PDF
  44. Learning Adaptive Perturbation-Conditioned Contexts for Robust Transcriptional Response Prediction

    Yinhua Piao, Hyomin Kim, Seonghwan Kim, Yunhak Oh, Junhyeok Jeon, Sang-Yeon Hwang, Jaechang Lim, Woo Youn Kim, Chanyoung Park, Sungsoo Ahn · PDF
  45. LieFlower: Controlling Protein Dynamics via Lie-Guided Discrete Flows

    Manvitha Ponnapati, Tong Chen, Yinuo Zhang, Pranam Chatterjee · PDF
  46. Lyrebird: Toward Robust and Generalizable 3D Molecular Conformer Generation via Equivariant Flows

    Vedanth M. Nilabh, Elias L Mann · PDF
  47. Machine learning-guided design of biomolecular condensates in an automated laboratory

    Peiran Jiang, Weifeng Wu, Simran Sodhi, Huaiying Zhang, Jose Lugo-Martinez · PDF
  48. Mechanisms of AI Protein Folding in ESMFold

    Kevin Lu, Jannik Brinkmann, Stefan T. Huber, Aaron Mueller, Yonatan Belinkov, David Bau, Chris Wendler · PDF
  49. Mechanistic Interpretability of Antibody Language Models Using SAEs

    Rebonto Haque, Oliver M. Turnbull, Anisha Parsan, Nithin Parsan, John Jingxuan Yang, Charlotte Deane · PDF
  50. ML-GUIDED MINING OF AN EXTENSIVELY VALIDATED SCFV LIBRARY FOR OPEN-SOURCE ENZYMES IN DIAGNOSTICS

    Aishwarya Venkatramani, Jennifer Molloy · PDF
  51. Modeling Static and Dynamic Protein Structure from 2D Infrared Spectrum with Stochastic Interpolant

    Lee Cheuk Kit, Pietro Lio · PDF
  52. mRNA-GPT: End-to-end Generative Design and Optimization of Full-length mRNA

    Sizhen Li, Paul Chauvin, Ofek Gross, Michael Bailey, Sven Jager · PDF
  53. MutaGen: Implicitly Guided Protein Evolution from Ranked Feedback via Pair-Based Discrete Flow Matching

    Itamar Chinn, Paolo L.B. Fischer, Michael A Sun, Tim Holtgrefe, Ilan Mitnikov, Mo Zhou, David Magrefty, Sara Zantou, Josephine K. Carscadden, Kaiyi Jiang, Young Joon Kim, Jen Ben Arye, Jonathan S. Gootenberg, Omar Abudayyeh, Regina Barzilay · PDF
  54. OmegAMP: Targeted AMP Discovery via Biologically Informed Generation

    Diogo Soares, Leon Hetzel, Paulina Szymczak, Marcelo Der Torossian Torres, Johanna Sommer, Cesar de la Fuente-Nunez, Fabian J Theis, Stephan Günnemann, Ewa Szczurek · PDF
  55. On improving experimental binding affinity predictions with synthetic data

    Kevin Ryczko, Phyo Phyo Kyaw Zin, Jordan Crivelli-Decker, Ly Le, Punit K Jha, Benjamin J. Shields, Pablo Lemos, Sasaank Bandi, Maarten Van Damme, Martin Ganahl, Andrea Bortolato · PDF
  56. Origin-1: Experimentally Validated Generative AI Platform for De Novo Antibody Design Against “Zero-Prior” Epitopes

    Simon Levine-Gottreich, Paulina Kulytė, Jacob Stern, David Grayson, Jonathan Edward King, Umberto Lupo · PDF
  57. pCoMole: Pareto-Constrained Molecule Editing with Discrete Flows

    Tong Chen, Maximilian Holsman, Lin Zhao, Yinuo Zhang, Pranam Chatterjee · PDF
  58. PeptiVerse: A Unified Platform for Therapeutic Peptide Property Prediction

    Yinuo Zhang, Sophia Tang, Tong Chen, Elizabeth H Mahood, Sophia Vincoff, Pranam Chatterjee · PDF
  59. PMO-Dock: Benchmarking Docking, Specificity and Generalization in Molecular Optimization

    Gor Simonyan, Tatevik Abrahamyan, Narek Abelyan, Tigran Fahradyan, Hrant Khachatrian · PDF
  60. PRISM: A Hybrid Diffusion-Reinforcement Learning Framework for 3D Structure-based De Novo Design

    Sanaz Kazeminia, Lewis R. Vidler, Pushkar G. Ghanekar, Nele P Quast, Garrett M Morris · PDF
  61. Protein Autoregressive Modeling via Multiscale Structure Generation

    Yanru Qu, Cheng-Yen Hsieh, Zaixiang Zheng, Ge Liu, Quanquan Gu · PDF
  62. Reading TEA leaves for de novo protein design

    Lorenzo Pantolini, Janani Durairaj · PDF
  63. S2S2Fun: Decoding Protein Function From Latent Structural Representations

    Ge Tian, Yunting Hu, Jiaru Li, Jiayi Dou · PDF
  64. Sample Efficient Generative Molecular Optimization with Joint Self-Improvement

    Serra Korkmaz, Adam Izdebski, Jonathan Pirnay, Rasmus Møller-Larsen, Michal Kmicikiewicz, Pankhil Gawade, Dominik G. Grimm, Ewa Szczurek · PDF
  65. Scalable Inference-Time Annealing for Continuous Normalizing Flows

    Daniel Peñaherrera, Rishal Aggarwal, David Ryan Koes · PDF
  66. Search-Based Inference-Time Scaling for All-Atom Protein Binder Design

    Kiwoong Yoo, Soorin Yim, Kyungwook Lee, Sungjoon Park, Jaehyeong Kong, Doyeong Hwang, Jongseong Jang, Kiyoung Kim · PDF
  67. Sequence Design and Phylogenetic Inference with Generative Flow Networks

    Qichen Huang, Carlos Michel Mourra-Diaz, Xiaozhen Wen, David Payette · PDF
  68. SNOOPPI: Sequence-Normalized Database of On- and Off-Target Protein-Protein Interactions

    Sophia Vincoff, Pranam Chatterjee · PDF
  69. Structural plausibility without binding specificity: limits of AI-based antibody-antigen structure prediction scores

    Eva Smorodina, Montader Ali, Klara Kropivšek, Leonardo Salicari, Samo Miklavc, Pietro Sormanni, Ario de Marco, Victor Greiff · PDF
  70. SynLaD: Latent Diffusion for Generating Synthesizable Molecules Conditioned on 3D Pharmacophore Profiles

    Miruna Cretu, John Bradshaw, Patricia Suriana, Saeed Saremi, Omar Mahmood, Kirill Shmilovich, Kangway V. Chuang, Vishnu Sresht, Colin A Grambow · PDF
  71. Synthesis-constrained discrete diffusion for ionizable lipid generation

    Rohin Maganti, Rahul Maganti, Mohamad-Gabriel Alameh · PDF
  72. Synthetic RNA Evolution Enables Accurate Alignment-Free 3D Structure Prediction

    Jörg K.H. Franke, Iris K. Tennie, Michael Uhl, Ryan Koksal, Dominika Matus, Frank Hutter, Rolf Backofen, Frederic Runge · PDF
  73. TD3B: Transition-Directed Discrete Diffusion for Allosteric Binder Generation

    Hanqun Cao, Aastha Pal, Sophia Tang, Yinuo Zhang, Jingjie Zhang, Pheng-Ann Heng, Pranam Chatterjee · PDF
  74. The Mechanistic Invariance Test: Genomic Language Models Fail To Learn Positional Regulatory Logic

    Bryan Cheng, Jasper Zhang · PDF
  75. Towards A Generative Protein Evolution Machine with DPLM-Evo

    Xinyou Wang, Liang Hong, Jiasheng Ye, Zaixiang Zheng, Shujian Huang, Quanquan Gu · PDF
  76. TOWARDS UNDERSTANDING HYBRID PROTEIN LANGUAGE MODEL DESIGN: A SYSTEMATIC ABLATION AND INTERPRETABILITY STUDY

    Yash Semlani, Nauman Javed, Frederick Hoffman, Krithik Ramesh · PDF