protein-folding

#计算机科学#To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released

#计算机科学#Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集

Optimizing AlphaFold Training and Inference on GPU Clusters

Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design

#计算机科学#Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding

#计算机科学#Implementation of Invariant Point Attention, used for coordinate refinement in the structure module of Alphafold2, as a standalone Pytorch module

#计算机科学#Implementation of trRosetta and trDesign for Pytorch, made into a convenient package, for protein structure prediction and design

Protein 3D structure prediction pipeline

#计算机科学#🧬 ManyFold: An efficient and flexible library for training and validating protein folding models

FrameDiPT: an SE(3) diffusion model for protein structure inpainting

#计算机科学#Example to fit parameters and run CG simulations using TorchMD and Schnet

Singularity recipe for AlphaFold

#计算机科学#Deep learning for protein science

#计算机科学#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

An interactive visual simulator for distance-based protein folding

#计算机科学#Infrastructure template and Jupyter notebooks for running RoseTTAFold on AWS Batch.

OPUS-Fold: An Open-Source Protein Folding Framework Based on Torsion-Angle Sampling

Decentralized Protein Folding Bittensor Subnet

Python package for generating Markov state models

#数据仓库#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 a...