Protein Folding

14 papers with code • 0 benchmarks • 0 datasets

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Greatest papers with code

Highly accurate protein structure prediction with AlphaFold

deepmind/alphafold Nature 2021

Accurate computational approaches are needed to address this gap and to enable large-scale structural bioinformatics.

Protein Folding Protein Structure Prediction

Variational Encoding of Complex Dynamics

msmbuilder/vde 23 Nov 2017

Recent work in the field of deep learning has led to the development of variational autoencoders (VAE), which are able to compress complex datasets into simpler manifolds.

Protein Folding Time Series

TorchMD: A deep learning framework for molecular simulations

torchmd/torchmd 22 Dec 2020

Molecular dynamics simulations provide a mechanistic description of molecules by relying on empirical potentials.

Protein Folding

Generative Models for Graph-Based Protein Design

jingraham/neurips19-graph-protein-design NeurIPS 2019

Engineered proteins offer the potential to solve many problems in biomedicine, energy, and materials science, but creating designs that succeed is difficult in practice.

Protein Folding

Accurate De Novo Prediction of Protein Contact Map by Ultra-Deep Learning Model

j3xugit/RaptorX-Contact 2 Sep 2016

Using our predicted contacts as restraints, we can (ab initio) fold 208 of the 398 membrane proteins with TMscore>0. 5.

Protein Folding

PolyFold: an interactive visual simulator for distance-based protein folding

Bhattacharya-Lab/PolyFold 14 Feb 2020

Here we present PolyFold, an interactive visual simulator for dynamically capturing the distance-based protein folding process through real-time rendering of a distance matrix and its compatible spatial conformation as it folds in an intuitive and easy-to-use interface.

Platform Protein Folding +2

Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures

phermosilla/IEConv_proteins ICLR 2021

Proteins perform a large variety of functions in living organisms, thus playing a key role in biology.

Protein Folding

Message Scheduling for Performant, Many-Core Belief Propagation

mvandermerwe/BP-GPU-Message-Scheduling 24 Sep 2019

Belief Propagation (BP) is a message-passing algorithm for approximate inference over Probabilistic Graphical Models (PGMs), finding many applications such as computer vision, error-correcting codes, and protein-folding.

Protein Folding

DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding

braceal/DeepDriveMD 17 Sep 2019

Our study provides a quantitative basis to understand how DL driven MD simulations, can lead to effective performance gains and reduced times to solution on supercomputing resources.

Protein Folding

Simultaneous Coherent Structure Coloring facilitates interpretable clustering of scientific data by amplifying dissimilarity

brookehus/sCSC 12 Jul 2018

sCSC performs a sequence of binary splittings on the dataset such that the most dissimilar data points are required to be in separate clusters.

Protein Folding