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Update utils.py
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utils.py
CHANGED
@@ -13,7 +13,7 @@ import numpy as np
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import matplotlib.pyplot as plt
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from matplotlib.lines import Line2D
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import torch
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import wandb
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RDLogger.DisableLog('rdApp.*')
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import warnings
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from multiprocessing import Pool
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@@ -232,9 +232,9 @@ def logging(log_path, start_time, i, idx, loss, save_path, drug_smiles, edge, no
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loss.update({'MaxLen': maxlen})
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loss.update({'Atom_types': atom_types_average})
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wandb.log({"Validity": valid, "Uniqueness": unique, "Novelty": novel_starting_mol,
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for tag, value in loss.items():
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log += ", {}: {:.4f}".format(tag, value)
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import matplotlib.pyplot as plt
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from matplotlib.lines import Line2D
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import torch
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#import wandb
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RDLogger.DisableLog('rdApp.*')
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import warnings
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from multiprocessing import Pool
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loss.update({'MaxLen': maxlen})
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loss.update({'Atom_types': atom_types_average})
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#wandb.log({"Validity": valid, "Uniqueness": unique, "Novelty": novel_starting_mol,
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# "Novelty_akt": novel_akt, "SNN_chembl": snn_chembl, "SNN_akt": snn_akt,
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# "MaxLen": maxlen, "Atom_types": atom_types_average})
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for tag, value in loss.items():
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log += ", {}: {:.4f}".format(tag, value)
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