diff --git a/STOUT/repack/helper.py b/STOUT/repack/helper.py index ca1c7dd..3468a87 100644 --- a/STOUT/repack/helper.py +++ b/STOUT/repack/helper.py @@ -1,8 +1,5 @@ -import os import tensorflow as tf -import tensorflow.keras as keras import re -import unicodedata import numpy as np import pystow from typing import List, Tuple, Dict @@ -103,6 +100,7 @@ def split_iupac(IUPACName: str) -> str: tokenized_IUPACname = " ".join(map(str, splitted_list)) return tokenized_IUPACname except Exception as e: + print(e) print(IUPACName) diff --git a/STOUT/stout.py b/STOUT/stout.py index 9e9023e..a3872fc 100644 --- a/STOUT/stout.py +++ b/STOUT/stout.py @@ -4,7 +4,6 @@ import os import pickle import pystow -import re import logging from .repack import helper diff --git a/requirements.txt b/requirements.txt index 6150eee..7815c38 100644 --- a/requirements.txt +++ b/requirements.txt @@ -2,3 +2,4 @@ tensorflow-gpu==2.15.0 pystow unicodedata2 jpype1 +rdkit