Toxicity prediction of small ligands scipion plugin

Documentation under development, sorry for the inconvenience Scipion framework plugin for the use of toxCSM software tool.

Install this plugin

You will need to use Scipion3 to run these protocols.

• Install the stable version

  Through the plugin manager GUI by launching Scipion and following Others >> Plugin Manager

  or

scipion3 installp -p scipion-chem-toxCSM

• Developer's version

  1. Download repository:

  git clone https://github.com/scipion-chem/scipion-chem-toxCSM.git
  

  2. Install:

  scipion3 installp -p /path/to/scipion-chem-toxCSM --devel
  

Protocols

This plugin contains the following protocols:

None for now

Packages & enviroments

Packages installed by this plugin can be located in /path/to/scipion/software/em/.

As of today, Scipion does not automatically uninstall the conda enviroments created in the installation process when uninstalling a plugin, so keep this list in mind if you want to clean up some disk space if you need to uninstall this one.

Changelog

All the recent version changes can be found here.