Substructural Connectivity FingerPrint
The required dependencies are listed in the environment.yml file.
To install using anaconda use:
conda env create environment.yml
conda activate scfp
Basic usage:
python SCFP.py -i [input_sdf_file] -k [path_to_smarts_key_file] -o [output_csv_file]
Other available options are listed by:
python SCFP.py -h