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fix bug in unimol_tools when using split parameter (#161)
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fix bug
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zhangkaihua88 authored Oct 8, 2023
1 parent 4ce860f commit 00f67e4
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions unimol_tools/unimol_tools/train.py
Original file line number Diff line number Diff line change
Expand Up @@ -76,9 +76,9 @@ def update_and_save_config(self):
self.config['multiclass_cnt'] = self.data['multiclass_cnt']

if self.config['split'] == 'random':
self.config['split'] = 'random_5fold'
self.config['split_method'] = '5fold_random'
else:
self.config['split'] = 'scaffold_5fold'
self.config['split_method'] = '5fold_scaffold'

if self.save_path is not None:
if not os.path.exists(self.save_path):
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