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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 101–150 of 188 papers

TitleStatusHype
A Comprehensive Review of Generative AI in Healthcare—0
APACE: AlphaFold2 and advanced computing as a service for accelerated discovery in biophysicsCode0
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
Thermodynamics of Protein Folding—0
Structural Property Prediction—0
Structure Alignment—0
Introduction to Protein Folding—0
Introduction to Protein Structure—0
Function Prediction—0
Data Resources for Structural Bioinformatics—0
Molecular Dynamics—0
Monte Carlo for Protein Structures—0
Internal-Coordinate Density Modelling of Protein Structure: Covariance Matters—0
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
Reinforcement Learning for Molecular Dynamics Optimization: A Stochastic Pontryagin Maximum Principle ApproachCode0
Applying Deep Reinforcement Learning to the HP Model for Protein Structure PredictionCode0
An Efficient MCMC Approach to Energy Function Optimization in Protein Structure PredictionCode0
E3Bind: An End-to-End Equivariant Network for Protein-Ligand Docking—0
Secondary Protein Structure Prediction Using Neural NetworksCode0
Unsupervisedly Prompting AlphaFold2 for Few-Shot Learning of Accurate Folding Landscape and Protein Structure PredictionCode0
HelixFold-Single: MSA-free Protein Structure Prediction by Using Protein Language Model as an AlternativeCode0
HelixFold: An Efficient Implementation of AlphaFold2 using PaddlePaddleCode0
PSP: Million-level Protein Sequence Dataset for Protein Structure PredictionCode0
Direct Generation of Protein Conformational Ensembles via Machine Learning—0
What is an equivariant neural network?—0
MAS2HP: A Multi Agent System to Predict Protein Structure in 2D HP modelCode0
Capturing the geometry, function, and evolution of enzymes with 3D templates—0
Numeric Lyndon-based feature embedding of sequencing reads for machine learning approaches—0
Proteome-scale Deployment of Protein Structure Prediction Workflows on the Summit Supercomputer—0
Structure determination—0
6DCNN with roto-translational convolution filters for volumetric data processing—0
An Automated Global Method for Extraction of Distance Distributions from Electron Spin Resonance Pulsed Dipolar Signals—0
Protein sequence-to-structure learning: Is this the end(-to-end revolution)?—0
EBM-Fold: Fully-Differentiable Protein Folding Powered by Energy-based Models—0
tFold-TR: Combining Deep Learning Enhanced Hybrid Potential Energy for Template-Based Modeling Structure Refinement—0
Functional Protein Structure Annotation Using a Deep Convolutional Generative Adversarial Network—0
"Weak AI" is Likely to Never Become "Strong AI", So What is its Greatest Value for us?—0
NMRPy: a novel NMR scripting system to implement artificial intelligence and advanced applications—0
Deep Learning applications for COVID-19—0
On the performance of deep learning for numerical optimization: an application to protein structure prediction—0
DeepFoldit -- A Deep Reinforcement Learning Neural Network Folding Proteins—0
Decoy Selection for Protein Structure Prediction Via Extreme Gradient Boosting and Ranking—0
An Investigation in Optimal Encoding of Protein Primary Sequence for Structure Prediction by Artificial Neural Networks—0
The prospects of quantum computing in computational molecular biology—0
Generating Tertiary Protein Structures via an Interpretative Variational AutoencoderCode0
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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