Protein Discovery with Discrete Walk-Jump Sampling
Fuente:
arXiv
Saved in:
| Main Authors: | Frey, Nathan C., Berenberg, Daniel, Zadorozhny, Karina, Kleinhenz, Joseph, Lafrance-Vanasse, Julien, Hotzel, Isidro, Wu, Yan, Ra, Stephen, Bonneau, Richard, Cho, Kyunghyun, Loukas, Andreas, Gligorijevic, Vladimir, Saremi, Saeed |
|---|---|
| Format: | Preprint |
| Published: |
2023
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
AbDiffuser: Full-Atom Generation of in vitro Functioning Antibodies
by: Martinkus, Karolis, et al.
Published: (2023)
by: Martinkus, Karolis, et al.
Published: (2023)
Unified all-atom molecule generation with neural fields
by: Kirchmeyer, Matthieu, et al.
Published: (2025)
by: Kirchmeyer, Matthieu, et al.
Published: (2025)
Pharmacophore-based design by learning on voxel grids
by: Mahmood, Omar, et al.
Published: (2025)
by: Mahmood, Omar, et al.
Published: (2025)
Antibody DomainBed: Out-of-Distribution Generalization in Therapeutic Protein Design
by: Tagasovska, Nataša, et al.
Published: (2024)
by: Tagasovska, Nataša, et al.
Published: (2024)
JAMUN: Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensembles
by: Daigavane, Ameya, et al.
Published: (2024)
by: Daigavane, Ameya, et al.
Published: (2024)
Score-based 3D molecule generation with neural fields
by: Kirchmeyer, Matthieu, et al.
Published: (2025)
by: Kirchmeyer, Matthieu, et al.
Published: (2025)
Accelerating Protein Molecular Dynamics Simulation with DeepJump
by: Costa, Allan dos Santos, et al.
Published: (2025)
by: Costa, Allan dos Santos, et al.
Published: (2025)
Structure-based drug design by denoising voxel grids
by: Pinheiro, Pedro O., et al.
Published: (2024)
by: Pinheiro, Pedro O., et al.
Published: (2024)
Token-Level Guided Discrete Diffusion for Membrane Protein Design
by: Goel, Shrey, et al.
Published: (2024)
by: Goel, Shrey, et al.
Published: (2024)
Training Dynamics of Learning 3D-Rotational Equivariance
by: Shen, Max W., et al.
Published: (2025)
by: Shen, Max W., et al.
Published: (2025)
PUFFIN: Protein Unit Discovery with Functional Supervision
by: Uludoğan, Gökçe, et al.
Published: (2026)
by: Uludoğan, Gökçe, et al.
Published: (2026)
NEBULA: Neural Empirical Bayes Under Latent Representations for Efficient and Controllable Design of Molecular Libraries
by: Nowara, Ewa M., et al.
Published: (2024)
by: Nowara, Ewa M., et al.
Published: (2024)
Conformation-Aware Structure Prediction of Antigen-Recognizing Immune Proteins
by: Dreyer, Frédéric A., et al.
Published: (2025)
by: Dreyer, Frédéric A., et al.
Published: (2025)
Ligand-Conditioned Discrete Diffusion for Protein Sequence-Structure Co-Design
by: Wei, Chen, et al.
Published: (2026)
by: Wei, Chen, et al.
Published: (2026)
BioBlobs: Unsupervised Discovery of Functional Substructures for Protein Function Prediction
by: Wang, Xin, et al.
Published: (2025)
by: Wang, Xin, et al.
Published: (2025)
EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants
by: Costa, Allan dos Santos, et al.
Published: (2024)
by: Costa, Allan dos Santos, et al.
Published: (2024)
Protein FID: Improved Evaluation of Protein Structure Generative Models
by: Faltings, Felix, et al.
Published: (2025)
by: Faltings, Felix, et al.
Published: (2025)
Fold-switching Proteins
by: Chakravarty, Devlina, et al.
Published: (2025)
by: Chakravarty, Devlina, et al.
Published: (2025)
Decoding How Proteins Fold
by: Vila, Jorge
Published: (2025)
by: Vila, Jorge
Published: (2025)
PLD-Tree: Persistent Laplacian Decision Tree for Protein-Protein Binding Free Energy Prediction
by: Xu, Xingjian, et al.
Published: (2024)
by: Xu, Xingjian, et al.
Published: (2024)
Bioremediation of Contaminated Soil with Crude Oil Using Consortium of bacteria
by: Taher, Ahmed Mohamed, et al.
Published: (2021)
by: Taher, Ahmed Mohamed, et al.
Published: (2021)
TriFit: Trimodal Fusion with Protein Dynamics for Mutation Fitness Prediction
by: Cho, Seungik
Published: (2026)
by: Cho, Seungik
Published: (2026)
Topological Enhancement of Protein Kinetic Stability
by: Especial, João NC, et al.
Published: (2026)
by: Especial, João NC, et al.
Published: (2026)
Protein Evolution as a Complex System
by: Gall, Barnabas, et al.
Published: (2024)
by: Gall, Barnabas, et al.
Published: (2024)
Toward the Explainability of Protein Language Models
by: Hunklinger, Andrea, et al.
Published: (2025)
by: Hunklinger, Andrea, et al.
Published: (2025)
Implicitly and Differentiably Representing Protein Surfaces and Interfaces
by: Scott, Cory B., et al.
Published: (2025)
by: Scott, Cory B., et al.
Published: (2025)
Probing the Dark Energy in the Functional Protein Universe
by: Galpern, Ezequiel A., et al.
Published: (2025)
by: Galpern, Ezequiel A., et al.
Published: (2025)
A Comprehensive Review of Protein Language Models
by: Wang, Lei, et al.
Published: (2025)
by: Wang, Lei, et al.
Published: (2025)
Artificial Intelligence Approaches for Anti-Addiction Drug Discovery
by: Chen, Dong, et al.
Published: (2025)
by: Chen, Dong, et al.
Published: (2025)
Guiding Generative Protein Language Models with Reinforcement Learning
by: Stocco, Filippo, et al.
Published: (2024)
by: Stocco, Filippo, et al.
Published: (2024)
Into the Unknown: From Structure to Disorder in Protein Function Prediction
by: Kolarić, Đesika, et al.
Published: (2025)
by: Kolarić, Đesika, et al.
Published: (2025)
Deep Learning of Proteins with Local and Global Regions of Disorder
by: Zhang, Oufan, et al.
Published: (2025)
by: Zhang, Oufan, et al.
Published: (2025)
Diffusion Sequence Models for Enhanced Protein Representation and Generation
by: Hallee, Logan, et al.
Published: (2025)
by: Hallee, Logan, et al.
Published: (2025)
ProtScan: Modeling and Prediction of RNA-Protein Interactions
by: Corrado, Gianluca, et al.
Published: (2024)
by: Corrado, Gianluca, et al.
Published: (2024)
Design of Ligand-Binding Proteins with Atomic Flow Matching
by: Liu, Junqi, et al.
Published: (2024)
by: Liu, Junqi, et al.
Published: (2024)
A New Route for the Determination of Protein Structure and Function
by: Mejias, S. H., et al.
Published: (2024)
by: Mejias, S. H., et al.
Published: (2024)
Best Practices for Machine Learning-Assisted Protein Engineering
by: Herrera-Rocha, Fabio, et al.
Published: (2025)
by: Herrera-Rocha, Fabio, et al.
Published: (2025)
Atomic Density Distributions in Proteins: Structural and Functional Implications
by: Touliopoulos, Sotirios, et al.
Published: (2025)
by: Touliopoulos, Sotirios, et al.
Published: (2025)
Decision Tree for Protein Biomarker Selection for Clinical Applications
by: Waury, Katharina
Published: (2023)
by: Waury, Katharina
Published: (2023)
Steering Generative Models for Protein Design: Aligning and Conditioning Strategies
by: Stocco, Filippo, et al.
Published: (2025)
by: Stocco, Filippo, et al.
Published: (2025)
Similar Items
-
AbDiffuser: Full-Atom Generation of in vitro Functioning Antibodies
by: Martinkus, Karolis, et al.
Published: (2023) -
Unified all-atom molecule generation with neural fields
by: Kirchmeyer, Matthieu, et al.
Published: (2025) -
Pharmacophore-based design by learning on voxel grids
by: Mahmood, Omar, et al.
Published: (2025) -
Antibody DomainBed: Out-of-Distribution Generalization in Therapeutic Protein Design
by: Tagasovska, Nataša, et al.
Published: (2024) -
JAMUN: Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensembles
by: Daigavane, Ameya, et al.
Published: (2024)