protein-folding
There are 59 repositories under protein-folding topic.
lucidrains/alphafold2
To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released
PaddlePaddle/PaddleHelix
Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
hpcaitech/FastFold
Optimizing AlphaFold Training and Inference on GPU Clusters
RosettaCommons/PyRosetta.notebooks
Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
lucidrains/equiformer-pytorch
Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding
lucidrains/invariant-point-attention
Implementation of Invariant Point Attention, used for coordinate refinement in the structure module of Alphafold2, as a standalone Pytorch module
lucidrains/tr-rosetta-pytorch
Implementation of trRosetta and trDesign for Pytorch, made into a convenient package, for protein structure prediction and design
instadeepai/manyfold
🧬 ManyFold: An efficient and flexible library for training and validating protein folding models
nf-core/proteinfold
Protein 3D structure prediction pipeline
instadeepai/FrameDiPT
FrameDiPT: an SE(3) diffusion model for protein structure inpainting
torchmd/torchmd-cg
Example to fit parameters and run CG simulations using TorchMD and Schnet
prehensilecode/alphafold_singularity
Singularity recipe for AlphaFold
conradry/prtm
Deep learning for protein science
lucidrains/triangle-multiplicative-module
Implementation of the Triangle Multiplicative module, used in Alphafold2 as an efficient way to mix rows or columns of a 2d feature map, as a standalone package for Pytorch
Bhattacharya-Lab/PolyFold
An interactive visual simulator for distance-based protein folding
aws-samples/aws-rosettafold
Infrastructure template and Jupyter notebooks for running RoseTTAFold on AWS Batch.
thuxugang/opus_fold
OPUS-Fold: An Open-Source Protein Folding Framework Based on Torsion-Angle Sampling
BioKT/MasterMSM
Python package for generating Markov state models
okkevaneck/prospr
Prospr is a universal toolbox for protein structure prediction within the HP-model. The Python package is based on a C++ core, which gives Prospr its high performance. The C++ core is made available as a separate zip file to facilitate high-performance computing applications. The package comes with many prediction algorithms and datasets to use.
macrocosm-os/folding
Decentralized Protein Folding Bittensor Subnet
johnnytam100/awesome-protein-design
A curated list of awesome protein design research, software and resources.
omarperacha/ps4-dataset
The largest open-source dataset for Protein Single Sequence Secondary Structure prediction.
sarisabban/RosettaAbinitio
A bash script for an automated Rosetta Abinitio folding simulation on an HPC
PhilippThoelke/protein-folding
Protein structure prediction using optimization methods from the field of machine learning
AstraBert/proteinviz
Your open-source alternative to AlphaFold3🚀
AMarinhoSN/FleXgeo
A package for protein conformational ensemble analyses based on a differential geometry representation of protein backbones.
moldyn/HP35
Selecting Features for Markov Modeling: A Case Study on HP35
lorenzoditucci/sda_examples_aws
Examples for SDAccel 2017.1+ on AWS F1 instances
renatawong/quantum-protein-structure-prediction
Quantum algorithms for protein structure prediction. Language: Python (Qiskit). Platform: IBM Quantum's backends and simulators.
vvoelz/HPSandbox
a package of Python modules and example scripts for experimenting with the two-dimensional HP lattice model of Dill and Chan.
alec-loftus/Peptide_Folding_Classifier
We seek a classifier that will predict if a protein sequence (+3D coordinates) will fold.
JosephPB/Protein
Protein folding simulator
thuxugang/opus_fold3
OPUS-Fold3: a gradient-based protein all-atom folding and docking framework on TensorFlow
ahabegger/CA-2-HCOMB
CA-2-HCOMB is a tool for simplifying single-chain protein structures from PDB files into manageable models like various honeycombs, retaining essential information for in-depth computations. It's efficient for large datasets and machine learning, and user-friendly for research and education.
Fabio-Gil-Z/AlphaMod
AlphaMod's official repository for protein folding