Getting HTMD

If you are a non-profit entity, you can download a free version of HTMD which does not have all functionalities of the Pro-version.

The Pro-version requires a license, which is linked to acceptance of the end user License agreement (EULA).

If you do not have a license, please contact us. If you already have a license, please follow the instructions here below.

Installing HTMD

With conda, you can easily install HTMD by running the following commands:

conda install -c acellera -c psi4 htmd python=3.6

Before using HTMD, please read the EULA and register using the command


If you don't accept the EULA and register at this point, HTMD will prompt for registration when the Python module is imported

In case you do not have conda

First, check if you already have conda:

conda -V

If this command reports the conda version, follow to the Installing HTMD section. If not, download the appropriate following package:


64-bit (bash installer)

Now, to install the conda package manager, go to directory where to you downloaded the previous package and run:

bash Miniconda3-latest-*

And follow the instructions.

Start using HTMD

Start using HTMD by either starting an interactive Python shell:


Or by opening an ipython notebook:


On either case, import the module and start using HTMD:

from htmd.ui import *

Updating HTMD

If you want to update HTMD to the latest version, run:

conda update -c acellera -c psi4 htmd