osbm commited on
Commit
94271a7
·
1 Parent(s): ae85361

Update trainer.py

Browse files
Files changed (1) hide show
  1. trainer.py +2 -2
trainer.py CHANGED
@@ -917,8 +917,8 @@ class Trainer(object):
917
  "Runtime (seconds)": round(et, 2),
918
  "Validity": f"{fraction_valid(metric_calc_dr)*100:.2f}%",
919
  "Uniqueness": f"{fraction_unique(metric_calc_dr)*100:.2f}%",
920
- "Novelty Train": f"{novelty(metric_calc_dr, smiles_train)*100:.2f}%",
921
- "Novelty Test": f"{novelty(metric_calc_dr, smiles_test)*100:.2f}%"
922
  }
923
  # print("Validity: ", fraction_valid(metric_calc_dr), "\n")
924
  # print("Uniqueness: ", fraction_unique(metric_calc_dr), "\n")
 
917
  "Runtime (seconds)": round(et, 2),
918
  "Validity": f"{fraction_valid(metric_calc_dr)*100:.2f}%",
919
  "Uniqueness": f"{fraction_unique(metric_calc_dr)*100:.2f}%",
920
+ "Novelty (Train)": f"{novelty(metric_calc_dr, smiles_train)*100:.2f}%",
921
+ "Novelty (Test)": f"{novelty(metric_calc_dr, smiles_test)*100:.2f}%"
922
  }
923
  # print("Validity: ", fraction_valid(metric_calc_dr), "\n")
924
  # print("Uniqueness: ", fraction_unique(metric_calc_dr), "\n")