RuntimeWarning: Mean of empty slice

[Hash-sun]

你好！
在运行evaluations/pipeline/evaluate_binder_pdb.py 代码时，Aggregating scores阶段会报出两个警告：
/lib/python3.10/site-packages/numpy/core/fromnumeric.py:3504: RuntimeWarning: Mean of empty slice.
return _methods._mean(a, axis=axis, dtype=dtype,
/lib/python3.10/site-packages/numpy/core/_methods.py:129: RuntimeWarning: invalid value encountered in scalar divide
ret = ret.dtype.type(ret / rcount)
检查发现，在pipeline_binder_pdb.py->_aggregate_chain_scores()函数中（643行），计算pae_part时，有行代码是：pae_part = pae[end_residue : , end_residue :]。这句是不是一个错误？这会导致pae的值为空，从而导致在计算mean时出错。是否应该使用pae_part = pae[start_residue : , start_residue :]。
原代码运行结果的info.csv文件中只有pLDDT的值，pAE的值为空或nan。在将这行代码修改后，其值正常计算。

此外，我在运行experiments/Originflow_binder.py后，每个原子的坐标为nan：
ATOM 1 N GLY A 1 nan nan nan 1.00 0.00
ATOM 2 CA GLY A 1 nan nan nan 1.00 0.00
ATOM 3 C GLY A 1 nan nan nan 1.00 0.00
ATOM 4 O GLY A 1 nan nan nan 1.00 0.00
ATOM 5 N GLY A 2 nan nan nan 1.00 0.00
ATOM 6 CA GLY A 2 nan nan nan 1.00 0.00
ATOM 7 C GLY A 2 nan nan nan 1.00 0.00
ATOM 8 O GLY A 2 nan nan nan 1.00 0.00
然后经过ProteinMPNN和ESM计算后，坐标值有了，但是序列仍为G。请问这样是正确的吗，还是我在Originflow_binder.py这部分设置错误出现的问题？

Originflow_binder.py结果

evaluate_binder_pdb.py 结果