Commit f62748b8 authored by Atreya Majumdar's avatar Atreya Majumdar
Browse files

Changed return type to np.ndarray in read_gnina_log

parent 86042a06

deepchem/utils/docking_utils.py

+1 −1
Original line number Diff line number Diff line
@@ -102,7 +102,7 @@ def write_gnina_conf(protein_filename: str, 
      f.write("%s = %s\n" % (str(k), str(v)))





def read_gnina_log(log_file: str) -> np.array:

def read_gnina_log(log_file: str) -> np.ndarray:

  """Read GNINA logfile and get docking scores.



  GNINA writes computed binding affinities to a logfile.

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