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switch to normalized error verify

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This commit is contained in:
Jucheng Hu 2025-06-16 15:15:01 +08:00
parent 4a53b3dba0
commit f0255839e2
4 changed files with 28 additions and 30 deletions
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11
internbootcamp/bootcamp/ChemStructure2Property/InChI2MRBootCamp.py
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@ -12,7 +12,6 @@ class InChI2MRBootCamp(InChI2logPbootcamp):
prompt = instruction + '\n' + instruction_following
return prompt
@classmethod
def _verify_correction(cls, solution, InChI)->bool:
"""
@ -20,9 +19,11 @@ class InChI2MRBootCamp(InChI2logPbootcamp):
"""
mol = Chem.MolFromInchi(InChI)
true_MR = Crippen.MolMR(mol)
print(f"Comparing pred: {solution}, ground_truth: {true_MR}")
return abs(true_MR - float(solution)) <= 0.01 # maybe mse or mae better?
solution_float = float(solution)
# Handle case where true_logp is 0
if true_MR == 0:
return abs(solution_float) <= 0.01 # Just check if solution is close to 0
else:
return abs(true_MR - solution_float)/abs(true_MR) <= 0.01