=================== Install ML4Chem =================== You can install ML4Chem from ``pip``, ``conda`` or ``sources``. Pip ------ You can install ML4Chem and all its dependencies with pip:: python3 -m pip install "ml4chem" If you want to install the application for your user:: pyhon3 -m pip install --user ml4chem If you want to install the development version of the `master` branch:: python3 -m pip install --upgrade git+https://github.com/muammar/ml4chem.git Conda -------- For conda installation, execute:: conda install ml4chem Sources -------- This type of installation is useful if you are going to develop new features for ML4chem. 1. Clone the application:: git clone https://github.com/muammar/ml4chem 2. Install the requirements:: cd ml4chem python3 -m pip install -r requirements.txt 3. After requirements are installed, you can proceed to add ``ml4chem`` to your ``PYTHONPATH`` and ``PATH`` (to use the ``ml4chem`` command line tool). Add the following to your ``.bashrc`` or ``.zshrc``:: PYTHOPATH=/path/to/ml4chem:$PYTHONPATH PATH=/path/to/ml4chem/bin:$PATH