RDKit ERROR: [07:38:26] Explicit valence for atom # 1 N, 6, is greater than permitted

[lizhixi212]

运行代码：

import sys
sys.path.append('./util/') 
from mol_tree import MolTree

data_mol_tree = []
for idx in range(5):
    smiles = data[idx]
    mol_tree = MolTree(smiles)
    mol_tree.recover()
    mol_tree.assemble()
    data_mol_tree.append(mol_tree)
    mol_tree

报错： RDKit ERROR: [07:38:26] Explicit valence for atom # 1 N, 6, is greater than permitted [07:38:26] Explicit valence for atom # 1 N, 6, is greater than permitted RDKit ERROR: [07:38:26] Explicit valence for atom # 1 N, 6, is greater than permitted [07:38:26] Explicit valence for atom # 1 N, 6, is greater than permitted 报错指出氮原子 #1 的显式价数为6，超过了允许的最大价数。 请问这个错误，影响后续的预训练和模型的精度性能吗？

[zaixizhang]

你好， 我们预训练的时候也会有类似rdkit报错， 对于预训练模型精度应该没有特别大的影响。

祝好！