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fix rdkit version

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This commit is contained in:
lipeiji 2025-06-18 16:18:53 +08:00
parent f4913c6f02
commit bd2933d3a5
5 changed files with 16 additions and 16 deletions
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internbootcamp/libs/chemStructure2Property/ChemStructureGenerator.py
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@ -244,7 +244,7 @@ class SMILESGenerator:
valid_smiles_set = set()
total_attempts_overall = 0
print(f"Attempting to generate {n} valid SMILES (min_len={self.min_len}, max_len={self.max_len})...")
# print(f"Attempting to generate {n} valid SMILES (min_len={self.min_len}, max_len={self.max_len})...")
while len(valid_smiles_set) < n:
attempts_for_current_smiles = 0
generated_this_round = False