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

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

An implementation of the DeepMind's AlphaFold based on PyTorch for research

Recurrent Geometric Networks for end-to-end differentiable learning of protein structure

Predicting direct protein-protein interactions with AlphaFold deep learning neural network models.

[ICLR 2022] OntoProtein: Protein Pretraining With Gene Ontology Embedding

Structural Bioinformatics is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew almond milk latte and read this.

De novo protein structure prediction using iteratively predicted structural constraints

Fast and accurate protein structure prediction

Fast, state-of-the-art ab initio prediction of protein secondary structure in 3 and 8 classes

An interactive visual simulator for distance-based protein folding

A Rust implementation of the LightDock macromolecular docking software

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.

PyMissense creates the pathogenicity plot and modified pdb as shown in the AlphaMissense paper for custom proteins.

NetSurfP 3.0: Protein secondary structure and relative solvent accessibility prediction

Differentiable Pairing using Alignment-based Language Models

A curated list of awesome protein design research, software and resources.

Protein structure prediction using optimization methods from the field of machine learning

Distance-based protein model quality estimation using deep ResNets

CB513 datasets for Protein Secondary Structure Prediction