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How to build CASF test dataset

Download these files and save to the directory $CASF and run script prepare.py:

CASF=<define your directory>
mkdir -p $CASF
wget https://raw.githubusercontent.com/oxpig/DeLinker/master/analysis/casf_structures.sdf -O $CASF/casf_structures.sdf
wget https://raw.githubusercontent.com/oxpig/DeLinker/master/data/data_casf_final.txt -O $CASF/data_casf_final.txt
python -W ignore prepare.py --casf-dir $CASF