A curated list of resources for "Flow Matching Meets Biology and Life Science: A Survey". Nature Portfolio Journal Artificial Intelligence. https://www.nature.com/articles/s44387-025-00066-y
See the codeA curated collection of papers, tools, and resources accompanying Flow Matching Meets Biology and Life Science: A Survey (arXiv 2025).
Flow matching is an emerging framework for generative modeling. This repository tracks its applications across biology and life sciences.
✨ This repository is continuously updated — star ⭐ it to stay up to date!
📖 If you find these resources helpful, please consider citing our survey (see Citations).
Flow Matching (FM) has recently emerged as a powerful paradigm for generative modeling, offering a flexible and scalable framework applicable across a wide range of biological domains. By constructing continuous probability trajectories between simple and complex distributions, FM provides an efficient and principled method to model high-dimensional, structured biological data while preserving structural and geometric constraints.
Contributions are welcome! If you spot errors or know of relevant papers/tools, please open an issue or submit a pull request.
Badge tip: Use shields.io for consistent paper/code badges. Example:
. We've created templates for different publishers:
- arXiv:
[]- OpenReview:
[]- Nature:
[]- NeurIPS:
[]
Building normalizing flows with stochastic interpolants ICLR 2023
Variational flow matching for graph generation NeurIPS 2024
Floor Eijkelboom, Grigory Bartosh, Christian Andersson Naesseth, Max Welling, Jan-Willem van de Meent
, 2024
Flow matching for generative modeling ICLR 2023
Yaron Lipman, Ricky T. Q. Chen, Heli Ben-Hamu, Maximilian Nickel, Matt Le
, 2023
Improving and generalizing flow-based generative models with minibatch optimal transport TMLR
Alexander Tong, Nikolay Malkin, Guillaume Huguet, Yanlei Zhang, Jarrid Rector-Brooks, Kilian Fatras, Guy Wolf,
Yoshua Bengio
, 2024
Optimal flow matching: Learning straight trajectories in just one step NeurIPS 2024
Nikita Kornilov, Petr Mokrov, Alexander Gasnikov, Alexander Korotin
, 2024
Improving and generalizing flow-based generative models with minibatch optimal transport TMLR
Alexander Tong, Kilian Fatras, Nikolay Malkin, Guillaume Huguet, Yanlei Zhang, Jarrid Rector-Brooks, Guy Wolf,
Yoshua Bengio
, 2023
Improving the training of rectified flows NeurIPS 2024
Flow straight and fast: Learning to generate and transfer data with rectified flow ICLR 2023
Flow matching on general geometries ICLR 2024
α-flow: A unified framework for continuous-state discrete flow matching models preprint
Fisher flow matching for generative modeling over discrete data NeurIPS 2024
Oscar Davis, Samuel Kessler, Mircea Petrache, Ismail Ceylan, Michael Bronstein, Joey Bose
, 2024
Neural manifold ordinary differential equations NeurIPS 2020
Aaron Lou, Derek Lim, Isay Katsman, Leo Huang, Qingxuan Jiang, Ser Nam Lim, Christopher M. De Sa
, 2020
Riemannian continuous normalizing flows NeurIPS 2020
Discrete flow matching NeurIPS 2024
Itai Gat, Tal Remez, Neta Shaul, Felix Kreuk, Ricky T. Q. Chen, Gabriel Synnaeve, Yossi Adi, Yaron Lipman
, 2024
α-flow: A unified framework for continuous-state discrete flow matching models arXiv
Fisher flow matching for generative modeling over discrete data NeurIPS 2024
Oscar Davis, Samuel Kessler, Mircea Petrache, Ismail Ceylan, Michael Bronstein, Joey Bose
, 2024
Generative flows on discrete state-spaces: Enabling multimodal flows with applications to protein co-design
arXiv
Andrew Campbell, Jason Yim, Regina Barzilay, Tom Rainforth, Tommi Jaakkola
, 2024
Defog: Discrete flow matching for graph generation arXiv
Yiming Qin, Manuel Madeira, Dorina Thanou, Pascal Frossard
, 2024
Flow matching with general discrete paths: A kinetic-optimal perspective ICLR 2025 Oral
Neta Shaul, Itai Gat, Marton Havasi, Daniel Severo, Anuroop Sriram, Peter Holderrieth, Brian Karrer, Yaron Lipman,
Ricky T. Q. Chen , 2024
Dirichlet flow matching with applications to DNA sequence design ICML 2024
Hannes Stark, Bowen Jing, Chenyu Wang, Gabriele Corso, Bonnie Berger, Regina Barzilay, Tommi Jaakkola
, 2024
Mixed continuous and categorical flow matching for 3D de novo molecule generation arXiv
Gumbel-softmax flow matching with straight-through guidance for controllable biological sequence generation
arXiv
Sophia Tang, Yinuo Zhang, Alexander Tong, Pranam Chatterjee
, 2025
Fisher flow matching for generative modeling over discrete data NeurIPS 2024
Oscar Davis, Samuel Kessler, Mircea Petrache, Ismail Ceylan, Michael Bronstein, Joey Bose
, 2024
Dirichlet flow matching with applications to DNA sequence design arXiv
Hannes Stark, Bowen Jing, Chenyu Wang, Gabriele Corso, Bonnie Berger, Regina Barzilay, Tommi Jaakkola
, 2024
Gumbel-softmax flow matching with straight-through guidance for controllable biological sequence generation
arXiv
Sophia Tang, Yinuo Zhang, Alexander Tong, Pranam Chatterjee , 2025
Multi-Objective-Guided Discrete Flow Matching for Controllable Biological Sequence Design
arXiv
Tong Chen, Yinuo Zhang, Sophia Tang, Pranam Chatterjee
, 2025
RNACG: A universal RNA sequence conditional generation model based on flow-matching arXiv
RNAFlow: RNA structure & sequence design via inverse folding-based flow matching ICML 2024
RiboGen: RNA sequence and structure co-generation with equivariant multiflow arXiv
Daniel Rubin, Alex de Souza Costa, Manvitha Ponnapati, Joseph Jacobson
, 2025
RiboFlow: Conditional De Novo RNA Co-Design via Synergistic Flow Matching NeurIPS 2025
Runze Ma, Zhongyue Zhang, Zichen Wang, Chenqing Hua, Jiahua Rao, Zhuomin Zhou, Shuangjia Zheng , 2025
GeNOT: Entropic (Gromov) Wasserstein flow matching with applications to single-cell genomics NeurIPS 2024
Dominik Klein, Théo Uscidda, Fabian Theis, Marco Cuturi
, 2024
CellFlow: A generative flow-based model for single-cell count data ICLR 2024 Workshop
Antonio Palma, Till Richter, Hao Zhang, Andrea Dittadi, Fabian J. Theis
, 2024
Multi-modal and multi-attribute generation of single cells with CFGen ICLR 2025
Antonio Palma, Till Richter, Hao Zhang, Martin Lubetzki, Alexander Tong, Andrea Dittadi, Fabian J. Theis
, 2025
IgFlow: Flow Matching for de novo Antibody Design NeurIPS 2024
S. Nagaraj, A. Shanehsazzadeh, H. Park, J. King, S. Levine , 2024
DyAB: Flow Matching for Flexible Antibody Design with AlphaFold-driven Pre-binding Antigen AAAI 2025
C. Tan, Y. Zhang, Z. Gao, Y. Huang, H. Lin, L. Wu, F. Wu, M. Blanchette, S. Z. Li
, 2025
Improving Molecular Graph Generation with Flow Matching and Optimal Transport arXiv 2024
X. Hou, T. Zhu, M. Ren, D. Bu, X. Gao, C. Zhang, S. Sun , 2024
Variational Flow Matching for Graph Generation NeurIPS 2024
F. Eijkelboom, G. Bartosh, C. A. Naesseth, M. Welling, J. van de Meent , 2024
DeFoG: Discrete Flow Matching for Graph Generation ICML 2025
EquiFlow: Equivariant Conditional Flow Matching with Optimal Transport for 3D Molecular Conformation Prediction arXiv 2024
Q. Tian, Y. Xu, Y. Yang, Z. Wang, Z. Liu, P. Yan, X. Li , 2024
Applications of Modular Co-Design for de novo 3D Molecule Generation NeurIPS 2024 Workshop
Controlled Generation with Equivariant Variational Flow Matching ICML 2025
F. Eijkelboom, H. Zimmermann, S. Vadgama, E. Bekkers, M. Welling, C. A. Naesseth, J.-W. van de Meent , 2025
ET-Flow: Equivariant Transformer Flow for Molecular Conformer Generation arXiv 2024
M. Hassan, N. Shenoy, J. Lee, H. Stark, S. Thaler, D. Beaini
, 2024
Accelerating 3D Molecule Generation via Jointly Geometric Optimal Transport (GOAT) ICLR 2025
SemlaFlow—Efficient 3D Molecular Generation with Latent Attention and Equivariant Flow Matching AISTATS 2025
Efficient Molecular Conformer Generation with SO(3)-Averaged Flow Matching and Reflow ICML 2025
Z. Cao, M. Geiger, A. D. S. Costa, D. Reidenbach, K. Kreis, T. Geffner, F. Pellegrini, G. Zhou, E. Kucukbenli , 2025
ET-Flow: Equivariant Flow-Matching for Molecular Conformer Generation NeurIPS 2024
M. Hassan, N. Shenoy, J. Lee, H. Stärk, S. Thaler, D. Beaini
, 2024
3D Structure Prediction of Atomic Systems with Flow-based Direct Preference Optimization NeurIPS 2024
Extended Flow Matching: A Method of Conditional Generation with Generalized Continuity Equation arXiv 2024
Mixed Continuous and Categorical Flow Matching for 3D De Novo Molecule Generation arXiv 2024
Energy-Based Flow Matching for Generating 3D Molecular Structure ICML 2025
W. Zhou, C. I. Sprague, V. Viliuga, M. Tadiello, A. Elofsson, H. Azizpour
, 2025
Training-Free Guided Flow Matching with Optimal Control arXiv 2024
PropMolFlow: property-guided molecule generation with geometry-complete flow matching Nature Computational Science 2026
Cheng Zeng, Jirui Jin, Connor Ambrose, George Karypis, Mark Transtrum, Ellad B. Tadmor, Richard G. Hennig, Adrian Roitberg, Stefano Martiniani, Mingjie Liu
, 2026
FlexSBDD: Structure-Based Drug Design with Flexible Protein Modeling NeurIPS 2024
Geometric Representation Condition Improves Equivariant Molecule Generation arXiv 2024
Improving Structural Plausibility in 3D Molecule Generation via Property-Conditioned Training with Distorted Molecules bioRxiv 2024
Stiefel Flow Matching for Moment-Constrained Structure Elucidation arXiv 2024
A. H. Cheng, A. Lo, K. L. K. Lee, S. Miret, A. Aspuru-Guzik
, 2024
Template-Guided 3D Molecular Pose Generation via Flow Matching and Differentiable Optimization NeurIPS 2025
Noémie Bergues, Arthur Carré, Paul Join-Lambert, Brice Hoffmann, Arnaud Blondel, Hamza Tajmouati , 2025
Prior-Guided Flow Matching for Target-Aware Molecule Design with Learnable Atom Number NeurIPS 2025
Fast Protein Backbone Generation with SE(3) Flow Matching arXiv 2023
J. Yim, A. Campbell, A. Y. Foong, M. Gastegger, J. Jiménez-Luna, S. Lewis, V. G. Satorras, B. S. Veeling, R. Barzilay, T. Jaakkola, F. Noé
, 2023
SE(3)-Stochastic Flow Matching for Protein Backbone Generation ICLR 2024
A. J. Bose, T. Akhound-Sadegh, G. Huguet, K. Fatras, J. Rector-Brooks, C.-H. Liu, A. C. Nica, M. Korablyov, M. Bronstein, A. Tong
, 2024
Robust and Reliable de novo Protein Design: A Flow-Matching-Based Protein Generative Model Achieves Remarkably High Success Rates bioRxiv 2025
Generating Highly Designable Proteins with Geometric Algebra Flow Matching NeurIPS 2024
S. Wagner, L. Seute, V. Viliuga, N. Wolf, F. Gräter, J. Stühmer
, 2024
Sequence-Augmented SE(3)-Flow Matching for Conditional Protein Backbone Generation NeurIPS 2024
G. Huguet, J. Vuckovic, K. Fatras, E. Thibodeau-Laufer, P. Lemos, R. Islam, C.-H. Liu, J. Rector-Brooks, T. Akhound-Sadegh, M. Bronstein, A. Tong, A. J. Bose
, 2024
Proteina: Scaling Flow-Based Protein Structure Generative Models ICLR 2025 Oral
T. Geffner, K. Didi, Z. Zhang, D. Reidenbach, Z. Cao, J. Yim, M. Geiger, C. Dallago, E. Kucukbenli, A. Vahdat, et al.
, 2025
ProtComposer: Compositional Protein Structure Generation with 3D Ellipsoids ICLR 2025
H. Stark, B. Jing, T. Geffner, J. Yim, T. Jaakkola, A. Vahdat, K. Kreis
, 2025
Atom-level enzyme active site scaffolding using RFdiffusion2 Nature Methods 2025
Woody Ahern, Jason Yim, Doug Tischer, Saman Salike, Seth M. Woodbury, Donghyo Kim, Indrek Kalvet, Yakov Kipnis, Brian Coventry, Han Raut Altae-Tran, Magnus S. Bauer, Regina Barzilay, Tommi S. Jaakkola, Rohith Krishna, David Baker
, 2025
Co-Design Protein Sequence and Structure in Discrete Space via Generative Flow (CoFlow) Bioinformatics 2025
An All-Atom Generative Model for Designing Protein Complexes (APM) ICML 2025
Generative Flows on Discrete State-Spaces: Enabling Multimodal Flows with Applications to Protein Co-Design (Multiflow) ICML 2024
A. Campbell, J. Yim, R. Barzilay, T. Rainforth, T. Jaakkola
, 2024
Improved Motif-Scaffolding with SE(3) Flow Matching arXiv 2024
Jason Yim, Andrew Campbell, Emile Mathieu, Andrew Y. K. Foong, Michael Gastegger, José Jiménez-Luna, Sarah Lewis, Victor Garcia Satorras, Bastiaan S. Veeling, Frank Noé, Regina Barzilay, Tommi S. Jaakkola
, 2024
EVA: Geometric Inverse Design for Fast Protein Motif-Scaffolding with Coupled Flow ICLR 2025
Yufei Huang, Yunshu Liu, Lirong Wu, Haitao Lin, Cheng Tan, Odin Zhang, Zhangyang Gao, Siyuan Li, Zicheng Liu, Yunfan Liu, Tailin Wu, Stan Z. Li , 2025
Design of Ligand-Binding Proteins with Atomic Flow Matching arXiv 2024
Junqi Liu, Shaoning Li, Chence Shi, Zhi Yang, Jian Tang , 2024
Harmonic Self-Conditioned Flow Matching for Joint Multi-Ligand Docking and Binding Site Design ICML 2024
Hannes Stärk, Bowen Jing, Regina Barzilay, Tommi Jaakkola
, 2024
Generalized Protein Pocket Generation with Prior-Informed Flow Matching (PocketFlow) NeurIPS 2024
FlowBack: A Generalized Flow-Matching Approach for Biomolecular Backmapping JCIM 2025
AlphaFold Meets Flow Matching for Generating Protein Ensembles ICML 2024
P2DFlow: A Protein Ensemble Generative Model with SE(3) Flow Matching JCTC 2025
FlowPacker: Protein Side-Chain Packing with Torsional Flow Matching Bioinformatics 2025
EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations ICLR 2024
Full-Atom Peptide Design based on Multi-modal Flow Matching ICML 2024
J. Li, C. Cheng, Z. Wu, R. Guo, S. Luo, Z. Ren, J. Peng, J. Ma
, 2024
FlowPacker: Protein Side-Chain Packing with Torsional Flow Matching Bioinformatics 2025
EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations arXiv 2023
Full-Atom Peptide Design based on Multi-modal Flow Matching ICML 2024
J. Li, C. Cheng, Z. Wu, R. Guo, S. Luo, Z. Ren, J. Peng, J. Ma
, 2024
Harmonic Self-Conditioned Flow Matching for Joint Multi-Ligand Docking and Binding Site Design ICML 2024
Hannes Stärk, Bowen Jing, Regina Barzilay, Tommi Jaakkola
, 2024
FlowDock: Geometric Flow Matching for Generative Protein-Ligand Docking and Affinity Prediction Bioinformatics 2025
ForceFM: Enhancing Protein-Ligand Predictions through Force-Guided Flow Matching NeurIPS 2025
P2DFlow: A Protein Ensemble Generative Model with SE(3) Flow Matching JCTC 2025
Full-Atom Peptide Design based on Multi-modal Flow Matching ICML 2024
J. Li, C. Cheng, Z. Wu, R. Guo, S. Luo, Z. Ren, J. Peng, J. Ma
, 2024
PPFlow: Target-Aware Peptide Design with Torsional Flow Matching bioRxiv 2024
H. Lin, O. Zhang, H. Zhao, D. Jiang, L. Wu, Z. Liu, Y. Huang, S. Z. Li
, 2024
Non-Linear Flow Matching for Full-Atom Peptide Design arXiv 2025
ProtFlow: Fast Protein Sequence Design via Flow Matching on Compressed Protein Language Model Embeddings arXiv 2025
Z. Kong, Y. Zhu, Y. Xu, H. Zhou, M. Yin, J. Wu, H. Xu, C.-Y. Hsieh, T. Hou, J. Wu , 2025
GeNOT: Entropic (Gromov) Wasserstein Flow Matching with Applications to Single-Cell Genomics NeurIPS 2024
Dominik Klein, Théo Uscidda, Fabian Theis, Marco Cuturi
, 2024
CellFlux: Simulating Cellular Morphology Changes via Flow Matching ICML 2025
Yuhui Zhang, Yuchang Su, Chenyu Wang, Tianhong Li, Zoe Wefers, Jeffrey Nirschl, James Burgess, Daisy Ding, Alejandro Lozano, Emma Lundberg, Serena Yeung-Levy , 2025
Metric Flow Matching for Smooth Interpolations on the Data Manifold NeurIPS 2024
Kacper Kapuśniak, Peter Potaptchik, Teodora Reu, Leo Zhang, Alexander Tong, Michael Bronstein, Avishek Joey Bose, Francesco Di Giovanni
, 2024
Diversified Flow Matching with Translation Identifiability ICML 2025
FlowSDF: Flow Matching for Medical Image Segmentation Using Distance Transforms arXiv 2024
Lea Bogensperger, Dominik Narnhofer, Alexander Falk, Konrad Schindler, Thomas Pock
, 2024
Flow Matching for Medical Image Synthesis: Bridging the Gap Between Speed and Quality arXiv 2025
Milad Yazdani, Yasamin Medghalchi, Pooria Ashrafian, Ilker Hacihaliloglu, Dena Shahriari , 2025
Multimodal Straight Flow Matching for Accelerated MR Imaging Computers in Biology and Medicine 2024
Wasserstein Flow Matching: Generative Modeling over Families of Distributions ICML 2025
Doron Haviv, Aram-Alexandre Pooladian, Dana Pe’er, Brandon Amos
, 2025
Scalable Generation of Spatial Transcriptomics from Histology Images via Whole-Slide Flow Matching ICML 2025
Tinglin Huang, Tianyu Liu, Mehrtash Babadi, Wengong Jin, Rex Ying
, 2025
Stream-level Flow Matching with Gaussian Processes ICML 2025
Flow Matching for Few-Trial Neural Adaptation with Stable Latent Dynamics ICML 2025
Riemannian Flow Matching for Brain Connectivity Matrices via Pullback Geometry NeurIPS 2025
Antoine Collas, Ce Ju, Nicolas Salvy, Bertrand Thirion
, 2025
Table 5 and 6 in our survey paper Flow Matching Meets Biology and Life Science: A Survey.
Please cite the following paper if you find the resource helpful for your research:
@article{li2026flow,
title={Flow matching meets biology and life science: a survey},
author={Li, Zihao and Zeng, Zhichen and Lin, Xiao and Fang, Feihao and Qu, Yanru and Xu, Zhe and Liu, Zhining and Ning, Xuying and Wei, Tianxin and Liu, Ge and others},
journal={npj Artificial Intelligence},
volume={2},
number={1},
pages={17},
year={2026},
publisher={Nature Publishing Group UK London}
}
This project is licensed under the MIT License - see the LICENSE file for details.
A curated list of resources for "Flow Matching Meets Biology and Life Science: A Survey". Nature Portfolio Journal Artificial Intelligence. https://www.nature.com/articles/s44387-025-00066-y
See the codeA curated collection of papers, tools, and resources accompanying Flow Matching Meets Biology and Life Science: A Survey (arXiv 2025).
Flow matching is an emerging framework for generative modeling. This repository tracks its applications across biology and life sciences.
✨ This repository is continuously updated — star ⭐ it to stay up to date!
📖 If you find these resources helpful, please consider citing our survey (see Citations).
Flow Matching (FM) has recently emerged as a powerful paradigm for generative modeling, offering a flexible and scalable framework applicable across a wide range of biological domains. By constructing continuous probability trajectories between simple and complex distributions, FM provides an efficient and principled method to model high-dimensional, structured biological data while preserving structural and geometric constraints.
Contributions are welcome! If you spot errors or know of relevant papers/tools, please open an issue or submit a pull request.
Badge tip: Use shields.io for consistent paper/code badges. Example:
. We've created templates for different publishers:
- arXiv:
[]- OpenReview:
[]- Nature:
[]- NeurIPS:
[]
Building normalizing flows with stochastic interpolants ICLR 2023
Variational flow matching for graph generation NeurIPS 2024
Floor Eijkelboom, Grigory Bartosh, Christian Andersson Naesseth, Max Welling, Jan-Willem van de Meent
, 2024
Flow matching for generative modeling ICLR 2023
Yaron Lipman, Ricky T. Q. Chen, Heli Ben-Hamu, Maximilian Nickel, Matt Le
, 2023
Improving and generalizing flow-based generative models with minibatch optimal transport TMLR
Alexander Tong, Nikolay Malkin, Guillaume Huguet, Yanlei Zhang, Jarrid Rector-Brooks, Kilian Fatras, Guy Wolf,
Yoshua Bengio
, 2024
Optimal flow matching: Learning straight trajectories in just one step NeurIPS 2024
Nikita Kornilov, Petr Mokrov, Alexander Gasnikov, Alexander Korotin
, 2024
Improving and generalizing flow-based generative models with minibatch optimal transport TMLR
Alexander Tong, Kilian Fatras, Nikolay Malkin, Guillaume Huguet, Yanlei Zhang, Jarrid Rector-Brooks, Guy Wolf,
Yoshua Bengio
, 2023
Improving the training of rectified flows NeurIPS 2024
Flow straight and fast: Learning to generate and transfer data with rectified flow ICLR 2023
Flow matching on general geometries ICLR 2024
α-flow: A unified framework for continuous-state discrete flow matching models preprint
Fisher flow matching for generative modeling over discrete data NeurIPS 2024
Oscar Davis, Samuel Kessler, Mircea Petrache, Ismail Ceylan, Michael Bronstein, Joey Bose
, 2024
Neural manifold ordinary differential equations NeurIPS 2020
Aaron Lou, Derek Lim, Isay Katsman, Leo Huang, Qingxuan Jiang, Ser Nam Lim, Christopher M. De Sa
, 2020
Riemannian continuous normalizing flows NeurIPS 2020
Discrete flow matching NeurIPS 2024
Itai Gat, Tal Remez, Neta Shaul, Felix Kreuk, Ricky T. Q. Chen, Gabriel Synnaeve, Yossi Adi, Yaron Lipman
, 2024
α-flow: A unified framework for continuous-state discrete flow matching models arXiv
Fisher flow matching for generative modeling over discrete data NeurIPS 2024
Oscar Davis, Samuel Kessler, Mircea Petrache, Ismail Ceylan, Michael Bronstein, Joey Bose
, 2024
Generative flows on discrete state-spaces: Enabling multimodal flows with applications to protein co-design
arXiv
Andrew Campbell, Jason Yim, Regina Barzilay, Tom Rainforth, Tommi Jaakkola
, 2024
Defog: Discrete flow matching for graph generation arXiv
Yiming Qin, Manuel Madeira, Dorina Thanou, Pascal Frossard
, 2024
Flow matching with general discrete paths: A kinetic-optimal perspective ICLR 2025 Oral
Neta Shaul, Itai Gat, Marton Havasi, Daniel Severo, Anuroop Sriram, Peter Holderrieth, Brian Karrer, Yaron Lipman,
Ricky T. Q. Chen , 2024
Dirichlet flow matching with applications to DNA sequence design ICML 2024
Hannes Stark, Bowen Jing, Chenyu Wang, Gabriele Corso, Bonnie Berger, Regina Barzilay, Tommi Jaakkola
, 2024
Mixed continuous and categorical flow matching for 3D de novo molecule generation arXiv
Gumbel-softmax flow matching with straight-through guidance for controllable biological sequence generation
arXiv
Sophia Tang, Yinuo Zhang, Alexander Tong, Pranam Chatterjee
, 2025
Fisher flow matching for generative modeling over discrete data NeurIPS 2024
Oscar Davis, Samuel Kessler, Mircea Petrache, Ismail Ceylan, Michael Bronstein, Joey Bose
, 2024
Dirichlet flow matching with applications to DNA sequence design arXiv
Hannes Stark, Bowen Jing, Chenyu Wang, Gabriele Corso, Bonnie Berger, Regina Barzilay, Tommi Jaakkola
, 2024
Gumbel-softmax flow matching with straight-through guidance for controllable biological sequence generation
arXiv
Sophia Tang, Yinuo Zhang, Alexander Tong, Pranam Chatterjee , 2025
Multi-Objective-Guided Discrete Flow Matching for Controllable Biological Sequence Design
arXiv
Tong Chen, Yinuo Zhang, Sophia Tang, Pranam Chatterjee
, 2025
RNACG: A universal RNA sequence conditional generation model based on flow-matching arXiv
RNAFlow: RNA structure & sequence design via inverse folding-based flow matching ICML 2024
RiboGen: RNA sequence and structure co-generation with equivariant multiflow arXiv
Daniel Rubin, Alex de Souza Costa, Manvitha Ponnapati, Joseph Jacobson
, 2025
RiboFlow: Conditional De Novo RNA Co-Design via Synergistic Flow Matching NeurIPS 2025
Runze Ma, Zhongyue Zhang, Zichen Wang, Chenqing Hua, Jiahua Rao, Zhuomin Zhou, Shuangjia Zheng , 2025
GeNOT: Entropic (Gromov) Wasserstein flow matching with applications to single-cell genomics NeurIPS 2024
Dominik Klein, Théo Uscidda, Fabian Theis, Marco Cuturi
, 2024
CellFlow: A generative flow-based model for single-cell count data ICLR 2024 Workshop
Antonio Palma, Till Richter, Hao Zhang, Andrea Dittadi, Fabian J. Theis
, 2024
Multi-modal and multi-attribute generation of single cells with CFGen ICLR 2025
Antonio Palma, Till Richter, Hao Zhang, Martin Lubetzki, Alexander Tong, Andrea Dittadi, Fabian J. Theis
, 2025
IgFlow: Flow Matching for de novo Antibody Design NeurIPS 2024
S. Nagaraj, A. Shanehsazzadeh, H. Park, J. King, S. Levine , 2024
DyAB: Flow Matching for Flexible Antibody Design with AlphaFold-driven Pre-binding Antigen AAAI 2025
C. Tan, Y. Zhang, Z. Gao, Y. Huang, H. Lin, L. Wu, F. Wu, M. Blanchette, S. Z. Li
, 2025
Improving Molecular Graph Generation with Flow Matching and Optimal Transport arXiv 2024
X. Hou, T. Zhu, M. Ren, D. Bu, X. Gao, C. Zhang, S. Sun , 2024
Variational Flow Matching for Graph Generation NeurIPS 2024
F. Eijkelboom, G. Bartosh, C. A. Naesseth, M. Welling, J. van de Meent , 2024
DeFoG: Discrete Flow Matching for Graph Generation ICML 2025
EquiFlow: Equivariant Conditional Flow Matching with Optimal Transport for 3D Molecular Conformation Prediction arXiv 2024
Q. Tian, Y. Xu, Y. Yang, Z. Wang, Z. Liu, P. Yan, X. Li , 2024
Applications of Modular Co-Design for de novo 3D Molecule Generation NeurIPS 2024 Workshop
Controlled Generation with Equivariant Variational Flow Matching ICML 2025
F. Eijkelboom, H. Zimmermann, S. Vadgama, E. Bekkers, M. Welling, C. A. Naesseth, J.-W. van de Meent , 2025
ET-Flow: Equivariant Transformer Flow for Molecular Conformer Generation arXiv 2024
M. Hassan, N. Shenoy, J. Lee, H. Stark, S. Thaler, D. Beaini
, 2024
Accelerating 3D Molecule Generation via Jointly Geometric Optimal Transport (GOAT) ICLR 2025
SemlaFlow—Efficient 3D Molecular Generation with Latent Attention and Equivariant Flow Matching AISTATS 2025
Efficient Molecular Conformer Generation with SO(3)-Averaged Flow Matching and Reflow ICML 2025
Z. Cao, M. Geiger, A. D. S. Costa, D. Reidenbach, K. Kreis, T. Geffner, F. Pellegrini, G. Zhou, E. Kucukbenli , 2025
ET-Flow: Equivariant Flow-Matching for Molecular Conformer Generation NeurIPS 2024
M. Hassan, N. Shenoy, J. Lee, H. Stärk, S. Thaler, D. Beaini
, 2024
3D Structure Prediction of Atomic Systems with Flow-based Direct Preference Optimization NeurIPS 2024
Extended Flow Matching: A Method of Conditional Generation with Generalized Continuity Equation arXiv 2024
Mixed Continuous and Categorical Flow Matching for 3D De Novo Molecule Generation arXiv 2024
Energy-Based Flow Matching for Generating 3D Molecular Structure ICML 2025
W. Zhou, C. I. Sprague, V. Viliuga, M. Tadiello, A. Elofsson, H. Azizpour
, 2025
Training-Free Guided Flow Matching with Optimal Control arXiv 2024
PropMolFlow: property-guided molecule generation with geometry-complete flow matching Nature Computational Science 2026
Cheng Zeng, Jirui Jin, Connor Ambrose, George Karypis, Mark Transtrum, Ellad B. Tadmor, Richard G. Hennig, Adrian Roitberg, Stefano Martiniani, Mingjie Liu
, 2026
FlexSBDD: Structure-Based Drug Design with Flexible Protein Modeling NeurIPS 2024
Geometric Representation Condition Improves Equivariant Molecule Generation arXiv 2024
Improving Structural Plausibility in 3D Molecule Generation via Property-Conditioned Training with Distorted Molecules bioRxiv 2024
Stiefel Flow Matching for Moment-Constrained Structure Elucidation arXiv 2024
A. H. Cheng, A. Lo, K. L. K. Lee, S. Miret, A. Aspuru-Guzik
, 2024
Template-Guided 3D Molecular Pose Generation via Flow Matching and Differentiable Optimization NeurIPS 2025
Noémie Bergues, Arthur Carré, Paul Join-Lambert, Brice Hoffmann, Arnaud Blondel, Hamza Tajmouati , 2025
Prior-Guided Flow Matching for Target-Aware Molecule Design with Learnable Atom Number NeurIPS 2025
Fast Protein Backbone Generation with SE(3) Flow Matching arXiv 2023
J. Yim, A. Campbell, A. Y. Foong, M. Gastegger, J. Jiménez-Luna, S. Lewis, V. G. Satorras, B. S. Veeling, R. Barzilay, T. Jaakkola, F. Noé
, 2023
SE(3)-Stochastic Flow Matching for Protein Backbone Generation ICLR 2024
A. J. Bose, T. Akhound-Sadegh, G. Huguet, K. Fatras, J. Rector-Brooks, C.-H. Liu, A. C. Nica, M. Korablyov, M. Bronstein, A. Tong
, 2024
Robust and Reliable de novo Protein Design: A Flow-Matching-Based Protein Generative Model Achieves Remarkably High Success Rates bioRxiv 2025
Generating Highly Designable Proteins with Geometric Algebra Flow Matching NeurIPS 2024
S. Wagner, L. Seute, V. Viliuga, N. Wolf, F. Gräter, J. Stühmer
, 2024
Sequence-Augmented SE(3)-Flow Matching for Conditional Protein Backbone Generation NeurIPS 2024
G. Huguet, J. Vuckovic, K. Fatras, E. Thibodeau-Laufer, P. Lemos, R. Islam, C.-H. Liu, J. Rector-Brooks, T. Akhound-Sadegh, M. Bronstein, A. Tong, A. J. Bose
, 2024
Proteina: Scaling Flow-Based Protein Structure Generative Models ICLR 2025 Oral
T. Geffner, K. Didi, Z. Zhang, D. Reidenbach, Z. Cao, J. Yim, M. Geiger, C. Dallago, E. Kucukbenli, A. Vahdat, et al.
, 2025
ProtComposer: Compositional Protein Structure Generation with 3D Ellipsoids ICLR 2025
H. Stark, B. Jing, T. Geffner, J. Yim, T. Jaakkola, A. Vahdat, K. Kreis
, 2025
Atom-level enzyme active site scaffolding using RFdiffusion2 Nature Methods 2025
Woody Ahern, Jason Yim, Doug Tischer, Saman Salike, Seth M. Woodbury, Donghyo Kim, Indrek Kalvet, Yakov Kipnis, Brian Coventry, Han Raut Altae-Tran, Magnus S. Bauer, Regina Barzilay, Tommi S. Jaakkola, Rohith Krishna, David Baker
, 2025
Co-Design Protein Sequence and Structure in Discrete Space via Generative Flow (CoFlow) Bioinformatics 2025
An All-Atom Generative Model for Designing Protein Complexes (APM) ICML 2025
Generative Flows on Discrete State-Spaces: Enabling Multimodal Flows with Applications to Protein Co-Design (Multiflow) ICML 2024
A. Campbell, J. Yim, R. Barzilay, T. Rainforth, T. Jaakkola
, 2024
Improved Motif-Scaffolding with SE(3) Flow Matching arXiv 2024
Jason Yim, Andrew Campbell, Emile Mathieu, Andrew Y. K. Foong, Michael Gastegger, José Jiménez-Luna, Sarah Lewis, Victor Garcia Satorras, Bastiaan S. Veeling, Frank Noé, Regina Barzilay, Tommi S. Jaakkola
, 2024
EVA: Geometric Inverse Design for Fast Protein Motif-Scaffolding with Coupled Flow ICLR 2025
Yufei Huang, Yunshu Liu, Lirong Wu, Haitao Lin, Cheng Tan, Odin Zhang, Zhangyang Gao, Siyuan Li, Zicheng Liu, Yunfan Liu, Tailin Wu, Stan Z. Li , 2025
Design of Ligand-Binding Proteins with Atomic Flow Matching arXiv 2024
Junqi Liu, Shaoning Li, Chence Shi, Zhi Yang, Jian Tang , 2024
Harmonic Self-Conditioned Flow Matching for Joint Multi-Ligand Docking and Binding Site Design ICML 2024
Hannes Stärk, Bowen Jing, Regina Barzilay, Tommi Jaakkola
, 2024
Generalized Protein Pocket Generation with Prior-Informed Flow Matching (PocketFlow) NeurIPS 2024
FlowBack: A Generalized Flow-Matching Approach for Biomolecular Backmapping JCIM 2025
AlphaFold Meets Flow Matching for Generating Protein Ensembles ICML 2024
P2DFlow: A Protein Ensemble Generative Model with SE(3) Flow Matching JCTC 2025
FlowPacker: Protein Side-Chain Packing with Torsional Flow Matching Bioinformatics 2025
EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations ICLR 2024
Full-Atom Peptide Design based on Multi-modal Flow Matching ICML 2024
J. Li, C. Cheng, Z. Wu, R. Guo, S. Luo, Z. Ren, J. Peng, J. Ma
, 2024
FlowPacker: Protein Side-Chain Packing with Torsional Flow Matching Bioinformatics 2025
EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations arXiv 2023
Full-Atom Peptide Design based on Multi-modal Flow Matching ICML 2024
J. Li, C. Cheng, Z. Wu, R. Guo, S. Luo, Z. Ren, J. Peng, J. Ma
, 2024
Harmonic Self-Conditioned Flow Matching for Joint Multi-Ligand Docking and Binding Site Design ICML 2024
Hannes Stärk, Bowen Jing, Regina Barzilay, Tommi Jaakkola
, 2024
FlowDock: Geometric Flow Matching for Generative Protein-Ligand Docking and Affinity Prediction Bioinformatics 2025
ForceFM: Enhancing Protein-Ligand Predictions through Force-Guided Flow Matching NeurIPS 2025
P2DFlow: A Protein Ensemble Generative Model with SE(3) Flow Matching JCTC 2025
Full-Atom Peptide Design based on Multi-modal Flow Matching ICML 2024
J. Li, C. Cheng, Z. Wu, R. Guo, S. Luo, Z. Ren, J. Peng, J. Ma
, 2024
PPFlow: Target-Aware Peptide Design with Torsional Flow Matching bioRxiv 2024
H. Lin, O. Zhang, H. Zhao, D. Jiang, L. Wu, Z. Liu, Y. Huang, S. Z. Li
, 2024
Non-Linear Flow Matching for Full-Atom Peptide Design arXiv 2025
ProtFlow: Fast Protein Sequence Design via Flow Matching on Compressed Protein Language Model Embeddings arXiv 2025
Z. Kong, Y. Zhu, Y. Xu, H. Zhou, M. Yin, J. Wu, H. Xu, C.-Y. Hsieh, T. Hou, J. Wu , 2025
GeNOT: Entropic (Gromov) Wasserstein Flow Matching with Applications to Single-Cell Genomics NeurIPS 2024
Dominik Klein, Théo Uscidda, Fabian Theis, Marco Cuturi
, 2024
CellFlux: Simulating Cellular Morphology Changes via Flow Matching ICML 2025
Yuhui Zhang, Yuchang Su, Chenyu Wang, Tianhong Li, Zoe Wefers, Jeffrey Nirschl, James Burgess, Daisy Ding, Alejandro Lozano, Emma Lundberg, Serena Yeung-Levy , 2025
Metric Flow Matching for Smooth Interpolations on the Data Manifold NeurIPS 2024
Kacper Kapuśniak, Peter Potaptchik, Teodora Reu, Leo Zhang, Alexander Tong, Michael Bronstein, Avishek Joey Bose, Francesco Di Giovanni
, 2024
Diversified Flow Matching with Translation Identifiability ICML 2025
FlowSDF: Flow Matching for Medical Image Segmentation Using Distance Transforms arXiv 2024
Lea Bogensperger, Dominik Narnhofer, Alexander Falk, Konrad Schindler, Thomas Pock
, 2024
Flow Matching for Medical Image Synthesis: Bridging the Gap Between Speed and Quality arXiv 2025
Milad Yazdani, Yasamin Medghalchi, Pooria Ashrafian, Ilker Hacihaliloglu, Dena Shahriari , 2025
Multimodal Straight Flow Matching for Accelerated MR Imaging Computers in Biology and Medicine 2024
Wasserstein Flow Matching: Generative Modeling over Families of Distributions ICML 2025
Doron Haviv, Aram-Alexandre Pooladian, Dana Pe’er, Brandon Amos
, 2025
Scalable Generation of Spatial Transcriptomics from Histology Images via Whole-Slide Flow Matching ICML 2025
Tinglin Huang, Tianyu Liu, Mehrtash Babadi, Wengong Jin, Rex Ying
, 2025
Stream-level Flow Matching with Gaussian Processes ICML 2025
Flow Matching for Few-Trial Neural Adaptation with Stable Latent Dynamics ICML 2025
Riemannian Flow Matching for Brain Connectivity Matrices via Pullback Geometry NeurIPS 2025
Antoine Collas, Ce Ju, Nicolas Salvy, Bertrand Thirion
, 2025
Table 5 and 6 in our survey paper Flow Matching Meets Biology and Life Science: A Survey.
Please cite the following paper if you find the resource helpful for your research:
@article{li2026flow,
title={Flow matching meets biology and life science: a survey},
author={Li, Zihao and Zeng, Zhichen and Lin, Xiao and Fang, Feihao and Qu, Yanru and Xu, Zhe and Liu, Zhining and Ning, Xuying and Wei, Tianxin and Liu, Ge and others},
journal={npj Artificial Intelligence},
volume={2},
number={1},
pages={17},
year={2026},
publisher={Nature Publishing Group UK London}
}
This project is licensed under the MIT License - see the LICENSE file for details.