BioSimSpace is an interoperable Python framework for biomolecular simulation. With it you can:

• Write robust and portable biomolecular workflow components that work on different hardware, with different software packages, and that can be run in different ways, e.g. command-line, Jupyter.
• Interact with molecular-simulation processes in real time.

To install:

conda install -c conda-forge -c openbiosim biosimspace

To install the development version:

conda install -c conda-forge -c openbiosim/label/dev biosimspace

When updating the development version it is generally advised to update Sire at the same time:

conda install -c conda-forge -c openbiosim/label/dev biosimspace sire