# Build ReacNetGenerator

To build ReacNetGenerator by yourself, first, you need to download the source code from the Releases page. Then install ReacNetGenerator with one of the following guides:

# Building a conda package

  1. Install Anaconda or Miniconda to obtain conda.
  2. Decompress reacnetgenerator.zip and build in the main directory of ReacNetGenerator:
conda config --add channels conda-forge
conda build conda/recipe
conda install reacnetgenerator --use-local
reacnetgenerator -h

# Building a Docker Image

  1. Install Docker.
  2. Decompress reacnetgenerator.zip and build in the main directory of ReacNetGenerator:
docker build . -t njzjz/reacnetgenerator
docker run njzjz/reacnetgenerator reacnetgenerator -h

# Installing via pip

  1. Install OpenBabel, RDKit, and Yarn.
  2. Decompress reacnetgenerator.zip and use pip to install in the main directory of ReacNetGenerator. Note that a C/C++ compiler must be installed.
pip install .