DeepGProp 1.0.8

Virtual environment creation

We can use a core module to create the virtual environment, it’s been working since version 3.3

python -m venv .venv

Please make sure when you do this that all __pycache__ directories have been deleted; otherwise, it might fail in some unexpected place.

This will create a virtual environment in the .venv directory. Once that’s been done, we need to activate it; use one of the following commands (depending on the interpreter) (obtained from the official venv documentation):

Table 1.1: Activating the virtual environment.

You won’t need to create the virtual environment in the case you’re using global installation of modules via version managers such as pyenv.

Installing the DeepGProp CLI

To run DeepGProp first we need to install its cli. You can install it with pip:

pip install -U DeepGProp

Or downloading the repository with:

pip install .

On the other hand, if we want the code to be updated as we change it, we will need to install DeepGProp in editable mode. To do this, we need to add the option -e/--editable to the installation command:

pip install -e .

All the available options can be listed using:

dgp --help

Extra modules

I’ve divided all the used packages in different groups to avoid installing undesirable ones for specific use of the repository:

To install any of these packages you can run:

pip install -r <file path>

If you are not using any virtual environment, make sure you install these packages so that they are available in the required Python version.