protein-folding topic

To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released

lucidrains

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

PaddlePaddle

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

RosettaCommons

Optimizing AlphaFold Training and Inference on GPU Clusters

hpcaitech

Implementation of Invariant Point Attention, used for coordinate refinement in the structure module of Alphafold2, as a standalone Pytorch module

lucidrains

Implementation of trRosetta and trDesign for Pytorch, made into a convenient package, for protein structure prediction and design

lucidrains

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

lucidrains

Example to fit parameters and run CG simulations using TorchMD and Schnet

torchmd

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

thuxugang

🧬 ManyFold: An efficient and flexible library for training and validating protein folding models

instadeepai