Getting Started¶
Installing PyIsoP¶
PyIsoP is deployed on PyPI , we can install it easily using pip
pip install pyisop
or clone from github
git clone git@github.com:arung-northwestern/pyIsoP.git
cd pyIsoP/
python setup.py install
Dependencies¶
To use all the functionality of PyIsoP the following python packages are required, which if not present are also installed automatically using pip.
Python 3.6 or newer
Numpy 1.13.3 or newer
Scipy 1.1.0 or newer
Sklearn 0.19.1 or newer
ASE 3.16.0 recommended (newer versions have trouble reading RASPA generated PDB files).
PYEVTK 1.1.1 or newer
Pandas 0.20.3 or newer
Numba 0.35 or newer
PyTest 5.0.1 or newer
Dask 2.2.0 or newer
Dask_jobqueue 0.6.2 or newer