Installation

mtenn is on conda-forge!

To install mtenn and all of its dependencies, you can simply run:

mamba install -c conda-forge mtenn

If you want to use a version on GitHub that hasn’t made it to conda-forge yet, first make sure you have all the required dependencies and then install with pip:

mamba install --only-deps -c conda-forge mtenn
git clone git@github.com:choderalab/mtenn.git
pip install -e --no-deps ./mtenn/

Note that the -e flag can be omitted if you don’t intend to do any development on the package.