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Install miniconda. Install rdkit and dask using the following commands: conda conda install -c rdkit rdkit conda install dask Install the insilico library using the following command: pip install git+https://github.com/SCM-NV/filterInsilico@master#egg=insilico-0.0.1
conda conda install -c rdkit rdkit
conda install dask
pip install git+https://github.com/SCM-NV/filterInsilico@master#egg=insilico-0.0.1
Virtual screening allows to filter a set of molecules based on their physico-chemical properties from a potentially large number of candidates.