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patch.txt
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patch.txt
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diff --git a/train_RNN/make_smile.py b/train_RNN/make_smile.py
index b9d6e02..1f0bc46 100755
--- a/train_RNN/make_smile.py
+++ b/train_RNN/make_smile.py
@@ -145,8 +145,8 @@ def zinc_logp(smile):
ma=6.66134
- print max(logp_value)
- print logp_value
+ print(max(logp_value))
+ print(logp_value)
def zinc_data_with_bracket_original():
@@ -154,7 +154,7 @@ def zinc_data_with_bracket_original():
sen_space=[]
#f = open('/Users/yang/smiles.csv', 'rb')
#f = open('/Users/yang/LSTM-chemical-project/smile_trainning.csv', 'rb')
- f = open('../data/250k_rndm_zinc_drugs_clean.smi', 'rb')
+ f = open('../data/250k_rndm_zinc_drugs_clean.smi', 'r')
reader = csv.reader(f)
for row in reader:
diff --git a/train_RNN/train_RNN.py b/train_RNN/train_RNN.py
index 5436c78..f17bba7 100644
--- a/train_RNN/train_RNN.py
+++ b/train_RNN/train_RNN.py
@@ -237,8 +237,8 @@ if __name__ == "__main__":
smile=zinc_data_with_bracket_original()
valcabulary,all_smile=zinc_processed_with_bracket(smile)
#valcabulary,all_smile=bond_atom(val,smile_without_bound)
- print valcabulary
- print len(all_smile)
+ print(valcabulary)
+ print(len(all_smile))
#print valcabulary
#print all_smile[0]
#print all_smile[1]