SALTY

Salty is an interactive data exploration tool for ionic liquid data from ILThermo (NIST)

Installation

Dependencies

Salty requires:

• python (>= 3.6)
• scikit-learn (>= 0.19.1)
• rdkit (>= 2017.09.1)

To take full advantage of rdkit you will also need Matplotlib >= 1.3.1.

User installation

You will first need to install rdkit:

conda create -n py36 python=3.6 anaconda
# activate the new virtual environment, e.g. on OSX/Linux
source activate py36
# on Windows
# activate py36
conda install -c rdkit rdkit

Salty can then be installed with:

pip install salty-ilthermo

Alternative versions of rdkit:

Should rdkit fail to install properly, refer to the Anaconda rdkit package entry and try:

#Recommended
conda install -c rdkit/label/beta rdkit 

conda install -c rdkit/label/attic rdkit 

conda install -c rdkit/label/testing rdkit

Development

Salty is currently underdevelopment by researchers at the University of Washington. Our research page can be found here.

Testing

After installation, you can launch the test suite from outside the source directory (you will need to have the pytest package installed):

pytest salty