/CANDO

Computational Analysis of Novel Drug Opportunities

Primary LanguagePythonBSD 3-Clause "New" or "Revised" LicenseBSD-3-Clause

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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](here 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:

run_test.py