Open Thoudam-A opened 4 months ago
Hi, you have a string which seems invalid:
'??????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????'
'??????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????????'
On Thu, Jul 18, 2024 at 3:49 AM Thoudam-A @.***> wrote:
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
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 — Reply to this email directly, view it on GitHub https://github.com/pengzhangzhi/ab_opt/issues/8, or unsubscribe https://github.com/notifications/unsubscribe-auth/AOD7GOYBC5GUEKLGHHQCOXTZM5XRHAVCNFSM6AAAAABLCDIBJGVHI2DSMVQWIX3LMV43ASLTON2WKOZSGQYTKNRTHA2DSMY . You are receiving this because you are subscribed to this thread.Message ID: @.***>
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Best regards,
Zhangzhi Peng *Email: @. @.>*
Web: https://pengzhangzhi.github.io/me https://pengzhangzhi.github.io/me
Thank you for your quick reply! But actually I'm just following the step 'Evaluation' in the README and then encountered this question, I didn't input any invalid string (I don't know how to input my pdb file, I tried to input pdb file as I did in diffab but failed).
Hi, thanks for excellent work! I encounted an error when running code 'python design_testset.py', how can I fix it?