CCL-Malaria - Modelling the Activity of Molecules against Malaria

First see why?.

This is a 2017 installment of the original code here.

Installation

Use conda.

git clone https://github.com/sdvillal/ccl-malaria.git
cd src
conda install -f environment.yaml```


## Running

The library provides a lot of entangled cheminformatics and machine learning functionality,
ready to be used in a programmatic way (highly recommended) or using the command line.
The scripts with the exemplified workflow are designed to work on bash shells in linux, but they
should be easy to adapt to other environments. These scripts take care of downloading the data,
so there is nothing else to do other than running them in order.

## Contact

This is work in progress by Santi Villalba and Floriane Montanari. Feel free to use the issue tracker
or github messages to contact us.