Installation

Installing Python

Anaconda is the recommended method to install Python for scientific applications. It is supported on Linux, Windows and Mac OS X. Download Anaconda here. Note that DescMAP runs on Python 3.9 and above.

Installing DescMAP using pip

Using pip is the most straightforward way to install DescMAP (See details at https://pypi.org/project/descmap/).

Install DescMAP by typing the following in the command prompt (the fresh installation takes ~1-2 minutes):

pip install descmap

Installing DescMAP from source

If you would prefer to install from source or you are interested in development, follow the instructions below.

pip install git+https://github.com/VlachosGroup/DescriptorMap.git

Upgrading DescMAP using pip

To upgrade to a newer release, use the –upgrade flag:

pip install --upgrade descmap