Installation¶
From Conda (recommended)¶
conda create -c rdkit -c josan_bcn -c nostrumbiodiscovery -c ambermd -c conda-forge -n modtox_conda python=3.6 modtox --yes
source activate modtox_conda
python -m modtox.main -h
From Source Code¶
git clone https://github.com/danielSoler93/modtox.git
cd modtox
conda install -c rdkit rdkit
python setup.py install
From PyPi¶
conda create -n modtox_pip python=3.6
source activate modtox_pip
pip install modtox
conda install -c rdkit rdkit