Cover Image

Scaling Atomistic Protein Binder Design with Generative Pretraining and Test-Time Compute

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Didi, Kieran, Zhang, Zuobai, Zhou, Guoqing, Reidenbach, Danny, Cao, Zhonglin, Cha, Sooyoung, Geffner, Tomas, Dallago, Christian, Tang, Jian, Bronstein, Michael M., Steinegger, Martin, Kucukbenli, Emine, Vahdat, Arash, Kreis, Karsten
Format:	Preprint
Published:	2026
Subjects:	Machine Learning
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

La-Proteina: Atomistic Protein Generation via Partially Latent Flow Matching
by: Geffner, Tomas, et al.
Published: (2025)

Consistent Synthetic Sequences Unlock Structural Diversity in Fully Atomistic De Novo Protein Design
by: Reidenbach, Danny, et al.
Published: (2025)

Proteina: Scaling Flow-based Protein Structure Generative Models
by: Geffner, Tomas, et al.
Published: (2025)

Efficient Molecular Conformer Generation with SO(3)-Averaged Flow Matching and Reflow
by: Cao, Zhonglin, et al.
Published: (2025)

ProtComposer: Compositional Protein Structure Generation with 3D Ellipsoids
by: Stark, Hannes, et al.
Published: (2025)

DiLaDiff: Distilled Latent-Augmented Diffusion for Language Modeling
by: Lemercier, Jean-Marie, et al.
Published: (2026)

Truncated Consistency Models
by: Lee, Sangyun, et al.
Published: (2024)

Exploring Synthesizable Chemical Space with Iterative Pathway Refinements
by: Lee, Seul, et al.
Published: (2025)

Molecule Generation with Fragment Retrieval Augmentation
by: Lee, Seul, et al.
Published: (2024)

Energy-Based Diffusion Language Models for Text Generation
by: Xu, Minkai, et al.
Published: (2024)

Guest Editorial: Special Topic on Software for Atomistic Machine Learning
by: Rupp, Matthias, et al.
Published: (2024)

GenMol: A Drug Discovery Generalist with Discrete Diffusion
by: Lee, Seul, et al.
Published: (2025)

Differentially Private Diffusion Models
by: Dockhorn, Tim, et al.
Published: (2022)

EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants
by: Costa, Allan dos Santos, et al.
Published: (2024)

Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization
by: Gu, Siyi, et al.
Published: (2024)

DisCo-Diff: Enhancing Continuous Diffusion Models with Discrete Latents
by: Xu, Yilun, et al.
Published: (2024)

Stochastic Flow Matching for Resolving Small-Scale Physics
by: Fotiadis, Stathi, et al.
Published: (2024)

Warped Diffusion: Solving Video Inverse Problems with Image Diffusion Models
by: Daras, Giannis, et al.
Published: (2024)

Elucidated Rolling Diffusion Models for Probabilistic Forecasting of Complex Dynamics
by: Cachay, Salva Rühling, et al.
Published: (2025)

LATTE: an atomic environment descriptor based on Cartesian tensor contractions
by: Pellegrini, Franco, et al.
Published: (2024)

On Equivariance and Fast Sampling in Video Diffusion Models Trained with Warped Noise
by: Liu, Chao, et al.
Published: (2025)

Flows, straight but not so fast: Exploring the design space of Rectified Flows in Protein Design
by: Chen, Junhua, et al.
Published: (2025)

Applications of Modular Co-Design for De Novo 3D Molecule Generation
by: Reidenbach, Danny, et al.
Published: (2025)

General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design
by: Jian, Yue, et al.
Published: (2024)

Latent Target Score Matching, with an application to Simulation-Based Inference
by: Ko, Joohwan, et al.
Published: (2026)

Learning Straight Flows by Learning Curved Interpolants
by: Shankar, Shiv, et al.
Published: (2025)

MANICURES/PEDICURES: CONHECIMENTO E PRÁTICAS DE BIOSSEGURANÇA PARA HEPATITES VIRAIS
by: Lauyze Dallago Barbosa
Published: (2015)

Predicting three-dimensional chaotic systems with four qubit quantum systems
by: Steinegger, Joel, et al.
Published: (2025)

Protein Fold Classification at Scale: Benchmarking and Pretraining
by: Chen, Dexiong, et al.
Published: (2026)

Align Your Flow: Scaling Continuous-Time Flow Map Distillation
by: Sabour, Amirmojtaba, et al.
Published: (2025)

Align Your Steps: Optimizing Sampling Schedules in Diffusion Models
by: Sabour, Amirmojtaba, et al.
Published: (2024)

One-step Diffusion Models with $f$-Divergence Distribution Matching
by: Xu, Yilun, et al.
Published: (2025)

Atomistic-Continuum Coupling by Homogenization
by: Neelakandan, Aagashram, et al.
Published: (2026)

Symetra: Visual Analytics for the Parameter Tuning Process of Symbolic Execution Engines
by: Hong, Donghee, et al.
Published: (2026)

An Empirical Analysis of Institutional Coevolution in the European Union
by: Sara Casagrande, et al.
Published: (2026)

Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling
by: Lu, Jiarui, et al.
Published: (2023)

Joint control variate for faster black-box variational inference
by: Wang, Xi, et al.
Published: (2022)

Marriage as a legal gateway to care: Legal entitlement and gender inequality in the 2020 and 2025 Korean time use survey
by: Sooyoung Kim
Published: (2026)

Predicting Atomistic Transitions with Transformers
by: Tischler, Henry, et al.
Published: (2026)

Fusing Neural and Physical: Augment Protein Conformation Sampling with Tractable Simulations
by: Lu, Jiarui, et al.
Published: (2024)