CANDO is a unique computational drug discovery, design, and repurposing platform.
Project description
CANDO
Computational Analysis of Novel Drug Opportunities
Background
CANDO is an unique and innovative multiscale therapeutic discovery, repurposing, and design platform.
For additional information, publications, and funding sources, please check out our website or our ACKNOWLEDGEMENTS.
Install
You may download the source code via the releases or cloning the git repository. However, we suggest using anaconda to install the CANDO package, as this is the easiest and quickest way to start using our platform!
The CANDO package relies on multiple "conda-forge" dependencies. Therefore, we require that you add "conda-forge" to your anaconda channels:
conda config --add channels conda-forge
Then you can install CANDO using the following command:
conda install -c ram-compbio cando
Tutorial
There is a CANDO tutorial available as a Jupyter notebook. This notebook can be found here in this repo.
It can also be downloaded from anaconda:
anaconda download ram-compbio/CANDO_tutorial
Documentation
CANDO API can be found here
Test
You can test your install by running our script:
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