Plugins are how molecular tools and AI models are made available to the OpenAD client. They provide drastically simplified access to a series of advanced tools, and they make it easy for your own Python applications to interface with OpenAD.
Creating your own plugins is easy if you have a basic understanding of Python.
Before you can interact with the plugins, you’ll need to register with each individual plugin.
First, you’ll need to generate an API key on the Deep Search website.
Toolkit / API
icon in the top right hand corner, then open the HTTP sectionOnce inside the OpenAD client, you’ll be prompted to authenticate when activating the Deep Search (DS4SD) toolkit. When running set context ds4sd
:
You should get a message saying you successfully logged in.
Note: Your DS4SD auth config file is saved as
~/.openad/deepsearch_api.cred
. If you ever want to reset your DS4SD login information you can runset context ds4sd reset
, or you can delete this file.
First, you’ll need to generate an API key on the RXN website.
When setting the context to RXN using set context rxn
you’ll be prompted to create a new auth configuration file:
You should get a message saying you successfully logged in.
Note: Your RXN auth config file is saved as
~/.openad/rxn_api.cred
. If you ever want to reset your RXN login information you can runset context rxn reset
, or you can delete this file.
First install the toolkit, then set the context to this toolkit.
[!IMPORTANT] When running commands from Jupyter, prepend them with
%openad
add toolkit ds4sd
set context ds4sd
add toolkit rxn
set context rxn
# DS4SD
display all collections
# RXN
list rxn models
To run a command in bash mode, prepend it with openad
and make sure to escape quotes.
openad show molecules using file \'base_molecules.sdf\'