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Protein Structure Prediction

Image credit: FastFold: Reducing AlphaFold Training Time from 11 Days to 67 Hours

Papers

Recently AddedMost HypedMost ActiveNeeds VerificationMost Verified

Showing 51–100 of 188 papers

TitleStatusHype
HelixFold-Multimer: Elevating Protein Complex Structure Prediction to New Heights—0
AlphaCrystal-II: Distance matrix based crystal structure prediction using deep learning—0
The curious case of A31P, a topology-switching mutant of the Repressor of Primer protein : A molecular dynamics study of its folding and misfolding—0
Convergence of Continuous Normalizing Flows for Learning Probability Distributions—0
AlphaFold2 for protein structure prediction: Best practices and critical analyses—0
Deep Reinforcement Learning for Modelling Protein Complexes—0
Advances of Deep Learning in Protein Science: A Comprehensive Survey—0
SGNet: Folding Symmetrical Protein Complex with Deep Learning—0
Understanding Biology in the Age of Artificial Intelligence—0
A Protein Structure Prediction Approach Leveraging Transformer and CNN Integration—0
A Hitchhiker's Guide to Geometric GNNs for 3D Atomic SystemsCode1
Linker-Tuning: Optimizing Continuous Prompts for Heterodimeric Protein Prediction—0
PDB-Struct: A Comprehensive Benchmark for Structure-based Protein DesignCode0
FoldExplorer: Fast and Accurate Protein Structure Search with Sequence-Enhanced Graph Embedding—0
AI in Pharma for Personalized Sequential Decision-Making: Methods, Applications and Opportunities—0
Direct Preference-Based Evolutionary Multi-Objective Optimization with Dueling Bandit—0
Exploring Post-Training Quantization of Protein Language ModelsCode0
CrysFormer: Protein Structure Prediction via 3d Patterson Maps and Partial Structure Attention—0
Deep Learning in Computational Biology: Advancements, Challenges, and Future Outlook—0
A Comprehensive Review of Generative AI in Healthcare—0
AtomSurf : Surface Representation for Learning on Protein StructuresCode1
APACE: AlphaFold2 and advanced computing as a service for accelerated discovery in biophysicsCode0
OpenProteinSet: Training data for structural biology at scaleCode4
FFF: Fragments-Guided Flexible Fitting for Building Complete Protein Structures—0
Artificial intelligence-aided protein engineering: from topological data analysis to deep protein language models—0
Function Prediction—0
Introduction to Protein Folding—0
Monte Carlo for Protein Structures—0
Thermodynamics of Protein Folding—0
Introduction to Protein Structure—0
Structural Property Prediction—0
Molecular Dynamics—0
Structure Alignment—0
Data Resources for Structural Bioinformatics—0
Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoopCode1
Enhancing the Protein Tertiary Structure Prediction by Multiple Sequence Alignment GenerationCode1
DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain PackingCode1
CREMP: Conformer-rotamer ensembles of macrocyclic peptides for machine learningCode1
EigenFold: Generative Protein Structure Prediction with Diffusion ModelsCode1
Internal-Coordinate Density Modelling of Protein Structure: Covariance Matters—0
Pareto Dominance Archive and Coordinated Selection Strategy-Based Many-Objective Optimizer for Protein Structure PredictionCode1
SE(3) diffusion model with application to protein backbone generationCode2
Generating Novel, Designable, and Diverse Protein Structures by Equivariantly Diffusing Oriented Residue CloudsCode1
ExplainableFold: Understanding AlphaFold Prediction with Explainable AICode1
RDesign: Hierarchical Data-efficient Representation Learning for Tertiary Structure-based RNA DesignCode1
Beating the Best: Improving on AlphaFold2 at Protein Structure Prediction—0
Ankh: Optimized Protein Language Model Unlocks General-Purpose ModellingCode0
FFF: Fragment-Guided Flexible Fitting for Building Complete Protein Structures—0
On How AI Needs to Change to Advance the Science of Drug Discovery—0
Protein Structure Prediction until CASP15—0
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All datasetsCASPSeqCASPSimSeqPaenSeqUniProtSeq

Benchmark Results

#ModelMetricClaimedVerifiedStatus
1GAL 125MValidation perplexity20.62—Unverified
2GAL 1.3BValidation perplexity17.58—Unverified
3GAL 6.7BValidation perplexity17.29—Unverified
4GAL 30BValidation perplexity17.27—Unverified
5GAL 120BValidation perplexity17.26—Unverified
#ModelMetricClaimedVerifiedStatus
1GAL 125MValidation perplexity19.18—Unverified
2GAL 1.3BValidation perplexity17.04—Unverified
3GAL 6.7BValidation perplexity16.35—Unverified
4GAL 30BValidation perplexity15.42—Unverified
5GAL 120BValidation perplexity12.77—Unverified
#ModelMetricClaimedVerifiedStatus
1GAL 125MValidation perplexity16.35—Unverified
2GAL 1.3BValidation perplexity12.53—Unverified
3GAL 6.7BValidation perplexity7.76—Unverified
4GAL 30BValidation perplexity4.28—Unverified
5GAL 120BValidation perplexity3.14—Unverified
#ModelMetricClaimedVerifiedStatus
1GAL 125MValidation perplexity19.05—Unverified
2GAL 1.3BValidation perplexity15.82—Unverified
3GAL 6.7BValidation perplexity11.58—Unverified
4GAL 30BValidation perplexity8.23—Unverified
5GAL 120BValidation perplexity5.54—Unverified