Installation

1. Install miniconda.
2. Install rdkit and dask using the following commands:
   • conda conda install -c rdkit rdkit
   • conda install dask
3. Install the insilico library using the following command:
   • pip install git+https://github.com/SCM-NV/filterInsilico@master#egg=insilico-0.0.1

Virtual Screening

Virtual screening allows to filter a set of molecules based on their physico-chemical properties from a potentially large number of candidates.