Metadata-Version: 2.1
Name: reinvent_models
Version: 0.0.15rc1
Summary: Generative models for Reinvent
Home-page: https://github.com/MolecularAI/reinvent-models.git
Author: MolecularAI
Author-email: patronov@gmail.com
License: UNKNOWN
Description: # Introduction
        This is a package to supply all the models used by REINVENT.
        
        # Develop
        ## Setup environment
        You can use Conda to create an environment with all the necessary packages installed.
        
        ```
        $ conda env create -f reinvent_models
        [...]
        $ conda activate reinvent_models
        ```
        
        ## Run tests
        The tests use the `unittest` package testing framework. Before you can run the tests make sure that you have created a
        `config.json`file in the `reinvent_models/configs` directory. There is an example config in the same directory, which 
        you can base your own config off of. The easiest way is to make a copy of the example config file and name it `config.json`.
        Make sure that you set `MAIN_TEST_PATH` to a non-existent directory; it is where temporary files will be written during the tests; 
        if it is set to an existing directory, that directory will be removed once the tests have finished.
        
        For the unit tests in this repository, make sure the paths below are set:
         `"PRIOR_PATH": "/path/to/reinvents/prior"`
         `"LIBINVENT_PRIOR_PATH": "/path/libinvent/prior"`
        
        Once you have created a config file, you can run the tests, located in the directory, by running
        
        ```
        $ python main_test.py
        ```
        
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.7
Description-Content-Type: text/markdown
