AbDesign error while evaluating.

[Thoudam-A]

Hi, thanks for excellent work! I encounted an error when running code 'python design_testset.py', how can I fix it?

Traceback (most recent call last):
  File "/home/disk02/ab_design/miniconda3/envs/diffab/lib/python3.8/site-packages/pandas/core/nanops.py", line 1680, in _ensure_numeric
    x = x.astype(np.complex128)
ValueError: complex() arg is a malformed string

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "/home/disk02/ab_design/miniconda3/envs/diffab/lib/python3.8/site-packages/pandas/core/nanops.py", line 1683, in _ensure_numeric
    x = x.astype(np.float64)
ValueError: could not convert string to float: 'GYYIFDIGGNTITGSGTSGLDVAELGDGSSVYYYGLDVDLVVYGMDVVVGTGMDVDLAGGGGLDVSGYTYDLAMDYSGYTYDLAMDYEGTGGYTGAAMDYGPLEYTGAGAYYYNWFDISGYTYDLAMDYSYYTRDLAMDYLWWLSGYFDIDLAGYGGLDVEGTYGYAGAAFDYDIGWRFDYEGYYGYGGAAFDYAELGDGSSVYYYGLDVDIGWRFDY'

The above exception was the direct cause of the following exception:

Traceback (most recent call last):
  File "design_testset.py", line 4, in <module>
    main()
  File "/home/disk02/ab_design/zrx/ab_opt-main/AbDesign/diffab/tools/runner/design_for_testset.py", line 59, in main
    eval_on_dataset(config, dataset, model, logger, save_dir)
  File "/home/disk02/ab_design/miniconda3/envs/diffab/lib/python3.8/site-packages/torch/autograd/grad_mode.py", line 27, in decorate_context
    return func(*args, **kwargs)
  File "/home/disk02/ab_design/zrx/ab_opt-main/AbDesign/diffab/utils/train.py", line 364, in eval_on_dataset
    return dict(df.mean())
  File "/home/disk02/ab_design/miniconda3/envs/diffab/lib/python3.8/site-packages/pandas/core/generic.py", line 11556, in mean
    return NDFrame.mean(self, axis, skipna, numeric_only, **kwargs)
  File "/home/disk02/ab_design/miniconda3/envs/diffab/lib/python3.8/site-packages/pandas/core/generic.py", line 11201, in mean
    return self._stat_function(
  File "/home/disk02/ab_design/miniconda3/envs/diffab/lib/python3.8/site-packages/pandas/core/generic.py", line 11158, in _stat_function
    return self._reduce(
  File "/home/disk02/ab_design/miniconda3/envs/diffab/lib/python3.8/site-packages/pandas/core/frame.py", line 10519, in _reduce
    res = df._mgr.reduce(blk_func)
  File "/home/disk02/ab_design/miniconda3/envs/diffab/lib/python3.8/site-packages/pandas/core/internals/managers.py", line 1534, in reduce
    nbs = blk.reduce(func)
  File "/home/disk02/ab_design/miniconda3/envs/diffab/lib/python3.8/site-packages/pandas/core/internals/blocks.py", line 339, in reduce
    result = func(self.values)
  File "/home/disk02/ab_design/miniconda3/envs/diffab/lib/python3.8/site-packages/pandas/core/frame.py", line 10482, in blk_func
    return op(values, axis=axis, skipna=skipna, **kwds)
  File "/home/disk02/ab_design/miniconda3/envs/diffab/lib/python3.8/site-packages/pandas/core/nanops.py", line 96, in _f
    return f(*args, **kwargs)
  File "/home/disk02/ab_design/miniconda3/envs/diffab/lib/python3.8/site-packages/pandas/core/nanops.py", line 158, in f
    result = alt(values, axis=axis, skipna=skipna, **kwds)
  File "/home/disk02/ab_design/miniconda3/envs/diffab/lib/python3.8/site-packages/pandas/core/nanops.py", line 421, in new_func
    result = func(values, axis=axis, skipna=skipna, mask=mask, **kwargs)
  File "/home/disk02/ab_design/miniconda3/envs/diffab/lib/python3.8/site-packages/pandas/core/nanops.py", line 727, in nanmean
    the_sum = _ensure_numeric(values.sum(axis, dtype=dtype_sum))
  File "/home/disk02/ab_design/miniconda3/envs/diffab/lib/python3.8/site-packages/pandas/core/nanops.py", line 1686, in _ensure_numeric
    raise TypeError(f"Could not convert {x} to numeric") from err
TypeError: Could not convert ['GYYIFDIGGNTITGSGTSGLDVAELGDGSSVYYYGLDVDLVVYGMDVVVGTGMDVDLAGGGGLDVSGYTYDLAMDYSGYTYDLAMDYEGTGGYTGAAMDYGPLEYTGAGAYYYNWFDISGYTYDLAMDYSYYTRDLAMDYLWWLSGYFDIDLAGYGGLDVEGTYGYAGAAFDYDIGWRFDYEGYYGYGGAAFDYAELGDGSSVYYYGLDVDIGWRFDY'
 'EGDAMDYGSTGDRHYYYYGMDVTRGRGLYDYVWGSKDYDLGPYGMDVHRGNPFDYDLGEAGGMDVSDYYGDYGFAYSDYYGDYGFAYKSYYVDYVDAMDYAVVGIVVVPAAGRRAFDISDYYGDYGFAYSDYYGDYGFAYAGWVRGAFDIDLGEAGGMDVKSYYVDYVDAMDYHRGNPFDYKSYYVDYVDAMDYTRGRGLYDYVWGSKDYHRGNPFDY'
 '??????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????'
 '??????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????'] to numeric