MolFeat plugin registry

This document explains how to officially register a plugin in MolFeat.

The MolFeat plugin registry aims to be the home for all publicly available MolFeat plugins. It collects information on the type of plugins provided by your package, which MolFeat versions it is compatible with, etc.

If you are starting to develop a new plugin or if you already have one, please register it here. We strongly encourage to register at early stages of development, both to reserve the name of your plugin and to inform the community of your ongoing work.

How to register a plugin

1. Fork this repository
2. Add your plugin to the end of the plugins.yaml file, e.g.

   ...
   molfeat-new:
       entry_point_prefix: new
       available_model_infos: ~
       home_url: ~
       documentation_url: ~ 
   

3. Create a Pull Request to this repository

Valid keys for each plugin

• top-level key (required): The name under which your plugin will be distributed. By convention, names of MolFeat plugins are lowercase and prefixed by molfeat- (e.g molfeat-padelpy)

• entry_point_prefix (required): The prefix of all entry points provided by the plugin. By convention, a plugin molfeat-xxx should use entry_point_prefix: xxx. For example: molfeat-padelpy uses the entry point prefix padelpy and provides numerous entry points, all of which start with padelpy..

• available_model_infos (required): A path to a json file specifying the information (model card) of all models that are offered in your plugin. For more information about a model card. Please refer to the create-plugin section.

• home_url (required): The link to the homepage of the plugin, for example its github repository.

• molfeat_version (required): The molfeat version required for your plugin to work.

• documentation_url (optional): The link to the online documentation for your plugin, for example on readthedocs.org .