Image de couverture de livre

BindEnergyCraft: Casting Protein Structure Predictors as Energy-Based Models for Binder Design

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Nori, Divya, Parsan, Anisha, Uhler, Caroline, Jin, Wengong
Format:	Preprint
Publié:	2025
Sujets:	Machine Learning
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

RNAFlow: RNA Structure & Sequence Design via Inverse Folding-Based Flow Matching
par: Nori, Divya, et autres
Publié: (2024)

Probabilistic Factorial Experimental Design for Combinatorial Interventions
par: Shyamal, Divya, et autres
Publié: (2025)

SurfPro: Functional Protein Design Based on Continuous Surface
par: Song, Zhenqiao, et autres
Publié: (2024)

Towards Interpretable Protein Structure Prediction with Sparse Autoencoders
par: Parsan, Nithin, et autres
Publié: (2025)

Causal Structure and Representation Learning with Biomedical Applications
par: Uhler, Caroline, et autres
Publié: (2025)

Causal Imputation for Counterfactual SCMs: Bridging Graphs and Latent Factor Models
par: Ribot, Alvaro, et autres
Publié: (2024)

Identifiability Guarantees for Causal Disentanglement from Purely Observational Data
par: Welch, Ryan, et autres
Publié: (2024)

Learning Mixtures of Unknown Causal Interventions
par: Kumar, Abhinav, et autres
Publié: (2024)

SwitchCraft: A Programmatic Framework for Designing State-Switching Proteins
par: Jing, Bowen, et autres
Publié: (2026)

Energy-Based Models for Predicting Mutational Effects on Proteins
par: Soga, Patrick, et autres
Publié: (2025)

Meta-Dependence in Conditional Independence Testing
par: Mazaheri, Bijan, et autres
Publié: (2025)

Synthetic Potential Outcomes and Causal Mixture Identifiability
par: Mazaheri, Bijan, et autres
Publié: (2024)

Generative Enzyme Design Guided by Functionally Important Sites and Small-Molecule Substrates
par: Song, Zhenqiao, et autres
Publié: (2024)

Binding-Adaptive Diffusion Models for Structure-Based Drug Design
par: Huang, Zhilin, et autres
Publié: (2024)

Scaling Atomistic Protein Binder Design with Generative Pretraining and Test-Time Compute
par: Didi, Kieran, et autres
Publié: (2026)

Membership Testing in Markov Equivalence Classes via Independence Query Oracles
par: Zhang, Jiaqi, et autres
Publié: (2024)

Causal Discovery with Fewer Conditional Independence Tests
par: Shiragur, Kirankumar, et autres
Publié: (2024)

Causal Discovery under Off-Target Interventions
par: Choo, Davin, et autres
Publié: (2024)

Energy-Balanced Hyperspherical Graph Representation Learning via Structural Binding and Entropic Dispersion
par: Chen, Rui, et autres
Publié: (2025)

On the Number of Conditional Independence Tests in Constraint-based Causal Discovery
par: Monés, Marc Franquesa, et autres
Publié: (2026)

Solarcast-ML: Per Node GraphCast Extension for Solar Energy Production
par: Colony, Cale, et autres
Publié: (2024)

MemGuard-Alpha: Detecting and Filtering Memorization-Contaminated Signals in LLM-Based Financial Forecasting via Membership Inference and Cross-Model Disagreement
par: Roy, Anisha, et autres
Publié: (2026)

DrugSAGE:Self-evolving Agent Experience for Efficient State-of-the-Art Drug Discovery
par: Zhang, Yikun, et autres
Publié: (2026)

Latent Causal Diffusions for Single-Cell Perturbation Modeling
par: Lorch, Lars, et autres
Publié: (2026)

Learning Structure, Energy, and Dynamics: A Survey of Artificial Intelligence for Protein Dynamics
par: Tang, Haocheng, et autres
Publié: (2026)

Compact Artificial Neural Network Models for Predicting Protein Residue -- RNA Base Binding
par: Selitskiy, Stanislav
Publié: (2025)

Latent Retrieval Augmented Generation of Cross-Domain Protein Binders
par: Zhang, Zishen, et autres
Publié: (2025)

Enforcing Orderedness to Improve Feature Consistency
par: Wang, Sophie L., et autres
Publié: (2025)

Molecule Generation for Target Protein Binding with Hierarchical Consistency Diffusion Model
par: Li, Guanlue, et autres
Publié: (2025)

Learning Protein-Ligand Binding in Hyperbolic Space
par: Wang, Jianhui, et autres
Publié: (2025)

Energy Efficient Protein Language Models: Leveraging Small Language Models with LoRA for Controllable Protein Generation
par: Shah, Aayush, et autres
Publié: (2024)

Generative Active Learning for the Search of Small-molecule Protein Binders
par: Korablyov, Maksym, et autres
Publié: (2024)

ZeroFold: Protein-RNA Binding Affinity Predictions from Pre-Structural Embeddings
par: Hanke, Josef, et autres
Publié: (2026)

Energy-Guided Generative Modeling for Low-Energy Molecular Structure Discovery
par: Xu, Guikun, et autres
Publié: (2025)

U-Cast: Learning Hierarchical Structures for High-Dimensional Time Series Forecasting
par: Ni, Juntong, et autres
Publié: (2025)

StrEBM: A Structured Latent Energy-Based Model for Blind Source Separation
par: Wei, Yuan-Hao
Publié: (2026)

Energy-Based Modelling for Discrete and Mixed Data via Heat Equations on Structured Spaces
par: Schröder, Tobias, et autres
Publié: (2024)

CountsDiff: A Diffusion Model on the Natural Numbers for Generation and Imputation of Count-Based Data
par: Soatto, Renzo G., et autres
Publié: (2026)

Prot42: a Novel Family of Protein Language Models for Target-aware Protein Binder Generation
par: Sayeed, Mohammad Amaan, et autres
Publié: (2025)

Distributional Energy-Based Models for Uncertainty-Aware Structured LLM Reasoning
par: Manchingal, Shireen Kudukkil, et autres
Publié: (2026)