Installation

The preferred installation mechanism for msmbuilder is with conda.

$ conda install -c omnia msmbuilder

If you don’t have conda, or are new to scientific python, we recommend that you download the Anaconda scientific python distribution.

From Source

MSMBuilder is a python package that heavily leans on other components of the scientific python ecosystem. See devtools/conda-recipe/meta.yaml for a complete and up-to-date list of build, run, and test dependencies. When you are sure the dependencies are satisfied you can install from PyPI

$ pip install msmbuilder

or from source

$ git clone git@github.com:msmbuilder/msmbuilder
$ cd msmbuilder/
$ pip install .
$ # (or: python setup.py install)

Frequently Asked Questions

Do I need Anaconda python? Can’t I use the python that comes with my operating like /usr/bin/python?

You can have multiple python installations on your computer which do not interact with one another at all. The system python interpreter is used by your operating system for some of its own programs but is not the best choice for data analysis or science.

We strongly recommend that you install Anaconda or Miniconda python distribution and that you have the conda package manager available.

If you’re interested in some of the details about packaging and scientific python, see this blog post by Travis Oliphant.