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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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5
internbootcamp/bootcamp/ChemStructure2Property/InChI2logPBootCamp.py
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@ -20,11 +20,10 @@ class InChI2logPbootcamp(Basebootcamp):
生成一组数字和目标值。
"""
self.InChIGenerator = InChIGenerator(max_atoms=self.max_atoms, min_atoms=self.min_atoms, elements=None, seed=None)
inchis = self.InChIGenerator.generate_n_valid_inchi(10)
inchis = self.InChIGenerator.generate_n_valid_inchi(1)
# print(inchis)
n = random.randint(0, 9)
# print(n)
return inchis[n]
return inchis[0]
def prompt_func(self, InChI) -> str: