Installation¶

PubChemPy supports Python versions 3.10+. There are no required dependencies.

There are a variety of ways to download and install PubChemPy.

Option 1: Use pip (recommended)¶

The easiest and recommended way to install is using pip, the package installer for Python. It comes included with most modern Python distrubtions and you can use it to install packages from the Python Package Index. Install PubChemPy using pip by running the following command in your terminal or command prompt:

pip install pubchempy

This will download the latest version of PubChemPy, and place it in your site-packages folder so it is automatically available to all your python scripts.

If pip is missing from your Python distribution, you can install it by following the official guide.

Option 2: Use conda¶

Conda is a cross-platform package manager that is popular in the scientific Python community. It provides an alternative to pip for installing Python packages and managing environments. Conda can be installed using the Miniforge installer, which is free and open-source, or the Anaconda installer, which is a commercial distribution that includes many scientific packages by default. Once you have conda installed, you can install PubChmePy from the conda-forge channel with the following command:

conda install -c conda-forge pubchempy

The conda-forge channel is a community-driven collection of conda packages that provides up-to-date and well-maintained packages for the conda package manager.

Option 3: Clone the repository¶

The latest development version of PubChemPy is always available on GitHub. This version is not guaranteed to be stable, but may include new features that have not yet been released. Simply clone the repository and install as usual:

git clone https://github.com/mcs07/PubChemPy.git
cd PubChemPy
pip install .