Metadata-Version: 2.1
Name: pyIsoP
Version: 1.2
Summary: UNKNOWN
Home-page: https://github.com/arung-northwestern/pyIsoP
Author: Arun Gopalan
Author-email: arungopalan2020@u.northwestern.edu
License: BSD-3-Clause
Platform: Linux
Platform: Unix
Platform: Windows
Requires-Python: >=3.6
Requires-Dist: numpy (>=1.13.3)
Requires-Dist: ase (==3.16)
Requires-Dist: tqdm (>=4.15)
Requires-Dist: pyevtk (==1.1.1)
Requires-Dist: pandas (>=0.20.3)
Requires-Dist: numba (>=0.35)
Requires-Dist: scikit-learn (>=0.19.1)
Requires-Dist: scipy (>=1.1.0)
Requires-Dist: pytest (>=5.0.1)
Requires-Dist: dask (>=2.2.0)
Requires-Dist: dask-jobqueue (>=0.6.2)

A fast and accurate semi-analytic method for predicting small molecule adsorption in nanoporous
materials, ideal for high-throughput screening applications. Developed by Arun Gopalan at
R. Q. Snurr Research Group, Northwestern University.


