The latest version requires Python 3.7 or later.
Install via conda#
You can install Anaconda or Miniconda to obtain conda, and install ReacNetGenerator easily with conda:
conda install reacnetgenerator -c conda-forge
Install via pip#
# upgrade pip as old pip may not be supported pip install -U pip pip install reacnetgenerator
See also Tutorial: Installation.
If you have installed Docker, an official Docker image is provided:
docker run ghcr.io/tongzhugroup/reacnetgenerator reacnetgenerator -h
When analyzing trajectories, you need to monut the local directory into the container.
If your HPC node has installed Singularity, you can also used it:
singularity run docker://ghcr.io/tongzhugroup/reacnetgenerator reacnetgenerator -h
See the build guide if you want to build ReacNetGenerator from source.