Installation

User Setup

Konnektor will be packaged with OpenFE, soon. :)

Konnektor can be installed via the package following package managers:

`shell mamba -c -conda-forge install konnektor `

Developer Setup

For Developers, we recommend to setup a Konnektor environment like in the following example, allowing modification of the code live in the package:

git clone OpenFreeEnergy/konnektor.git

cd konnektor mamba env create -f environment.yml

mamba activate konnektor python -m pip install -e .

Happy coding! :)