Tutorial to Create SPLIF Features

[sawsimeon]

Hi, I would like to know is there a way where I could create a SPLIF features into a single array of 4096 size. I do not know how to create a dataframe of the output from the SPLIF function.

import numpy as np
import pandas as pd
import oddt
import oddt.pandas as opd
from oddt.fingerprints import SPLIF

receptor = next(oddt.toolkit.readfile('pdb', 'xiap/receptor_rdkit.pdb'))
data = opd.read_sdf('xiap/actives_docked.sdf')
splif = SPLIF(data['mol'][0], protein=receptor)
splif