Pro-FSFP: Few-Shot Protein Fitness Prediction

Official repository for the paper "Tranception: Protein Fitness Prediction with Autoregressive Transformers and Inference-time Retrieval"

This is the offical codebase to reproduce and use EVOLVEpro, a model for in silico directed evolution of protein activities using few-shot active learning.

Diffusion models of protein structure; trigonometry and attention are all you need!

Generation of protein sequences and evolutionary alignments via discrete diffusion models

User friendly and accurate binder design pipeline

Implementation for SE(3) diffusion model with application to protein backbone generation

repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model

NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

Predict the structure of immune receptor proteins

The official implementation of the ICLR'23 paper PiFold: Toward effective and efficient protein inverse folding.

The first large protein language model trained follows structure instructions.

This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.

Structure-conditioned masked language modeling for protein sequence design

Code for ICLR 2024 (Spotlight) paper "MAPE-PPI: Towards Effective and Efficient Protein-Protein Interaction Prediction via Microenvironment-Aware Protein Embedding"

Official repository for the ProteinGym benchmarks

Implementation of Alpha Fold 3 from the paper: "Accurate structure prediction of biomolecular interactions with AlphaFold3" in PyTorch

PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"

This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"

Evaluating Protein Binding Interfaces with Transformer Networks

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

Fast, accurate antibody structure prediction from deep learning on massive set of natural antibodies

This is the repository for PIPR. This repository contains the source code and links to some datasets used in the ISMB/ECCB-2019 paper "Multifaceted Protein-Protein Interaction Prediction Based on S…

Variational autoencoder for protein sequences - add metal binding sites and generate sequences for novel topologies