LoRA for protein language models

Controlling the usage of hydrophobic residues on AfDesign for binder peptide design with AlphaFold hallucination protocol

PaCS-Toolkit: Optimized software utilities for PaCS-MD and following analysis

Official repository for Target-Specific De Novo Peptide Binder Design with DiffPepBuilder

VQVAEs, GumbelSoftmaxes and friends

Pretrainable geometric graph neural network for antibody affinity maturation

Chai-1, SOTA model for biomolecular structure prediction

Data and analysis code for MP3-Seq

Neural networks for cryo-EM reconstruction

Automatic atomic model building program for cryo-EM maps

A short course on proteins and protein design aimed at early career students

ML toolset for creating TED: The Encyclopedia of Domains

Reduce - tool for adding and correcting hydrogens in PDB files

Fast protein backbone generation with SE(3) flow matching.

Phage Annotation using Protein Structures

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

Multiple Protein Structure Alignment at Scale with FoldMason

Convert mmCIF to PDB protein structure file format

[ICML 2024] Floating Anchor Diffusion Model for Multi-motif Scaffolding

This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user examples are also available.

Code for deep learning guided design of dynamic proteins

Color palette package in R inspired by works at the Metropolitan Museum of Art in New York

An open access book on scientific visualization using python and matplotlib

In silico directed evolution of peptide binders with AlphaFold