protein-folding

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

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

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

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

IntelliFold: A Controllable Foundation Model for General and Specialized Biomolecular Structure Prediction.

Protein 3D structure prediction pipeline

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

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

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

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

Singularity recipe for AlphaFold

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

Deep learning for protein science

An interactive visual simulator for distance-based protein folding

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