saicharan2804 commited on
Commit
56d9bde
1 Parent(s): 2727a59

app.py cleaned

Browse files
Files changed (1) hide show
  1. app.py +0 -19
app.py CHANGED
@@ -17,22 +17,3 @@ iface = gr.Interface(
17
  iface.launch()
18
 
19
 
20
- # import pandas as pd
21
- # from molgenevalmetric import penalized_logp
22
- # import evaluate
23
-
24
- # df = pd.read_csv('/Users/saicharan/chembl_10000.csv')
25
- # ls= df['SMILES'].tolist()
26
- # ls_gen = ls[0:500]
27
- # ls_train = ls[500:1000]
28
-
29
- # print('computing')
30
- # print(penalized_logp(gen=ls_gen))
31
- # print(SYBAscore(gen=ls_gen))
32
- # print(qed_metric(gen=ls_gen))
33
- # print(logP_metric(gen=ls_gen))
34
- # print(average_sascore(gen=ls_gen))
35
- # print(oracles(gen=ls_gen, train=ls_train))
36
-
37
- # met = evaluate.load("saicharan2804/molgenevalmetric")
38
- # print(met.compute(gensmi = ls_gen, trainsmi = ls_train))
 
17
  iface.launch()
18
 
19