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Generative Diffusion Models for Antibody Design, Docking, and Optimization

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<!-- [![Conference](http://img.shields.io/badge/AnyConference-year-4b44ce.svg)](https://papers.nips.cc/paper/2020) --> </div>

Official <a href="https://pytorch.org/get-started/locally/"><img alt="PyTorch" src="https://img.shields.io/badge/PyTorch-ee4c2c?logo=pytorch&logoColor=white"></a> implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.

The wet experiment data used to validate our pipeline is available at wet_experiment_data.zip

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Quick start

Installation

git clone git@github.com:pengzhangzhi/ab_opt.git

Antibody optimization pipeline

want to use it online? Check out the colab version of the antibody optimization pipeline.

Running the pipeline in local

AbDesign

Please take a look at the AbDesign on reproducing the training and evaluation of the AbDesign.

AbDock

Please refer to the AbDock on how to reproduce the training and evaluation of the AbDock and the antibody optimization pipeline.

Credits <a name = "credits"></a>

This codebase is based on the following repositories, we thank the authors for their great work.