martinpacesa / BindCraft

User friendly and accurate binder design pipeline
MIT License
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TypeError: Cannot convert numpy.ndarray to numpy.ndarray #3

Closed joerloeffler closed 1 month ago

joerloeffler commented 1 month ago

hey, after following the steps of reinstalling pyrosetta, I ended up with the following error message when trying to rerun the example locally.

Traceback (most recent call last): File "/home/joe/Software/BindCraft/./bindcraft.py", line 52, in create_dataframe(trajectory_csv, trajectory_labels) File "/home/joe/Software/BindCraft/functions/generic_utils.py", line 262, in create_dataframe df = pd.DataFrame(columns=columns) File "/home/mojoe/miniforge3/envs/BindCraft/lib/python3.9/site-packages/pandas/core/frame.py", line 876, in init mgr = dict_to_mgr( File "/home/joe/miniforge3/envs/BindCraft/lib/python3.9/site-packages/pandas/core/internals/construction.py", line 443, in dict_to_mgr arrays = Series(data, index=columns, dtype=object) File "/home/joe/miniforge3/envs/BindCraft/lib/python3.9/site-packages/pandas/core/series.py", line 490, in init index = ensure_index(index) File "/home/joe/miniforge3/envs/BindCraft/lib/python3.9/site-packages/pandas/core/indexes/base.py", line 7647, in ensure_index return Index(index_like, copy=copy, tupleize_cols=False) File "/home/joe/miniforge3/envs/BindCraft/lib/python3.9/site-packages/pandas/core/indexes/base.py", line 565, in new arr = sanitize_array(data, None, dtype=dtype, copy=copy) File "/home/joe/miniforge3/envs/BindCraft/lib/python3.9/site-packages/pandas/core/construction.py", line 654, in sanitize_array subarr = maybe_convert_platform(data) File "/home/joe/miniforge3/envs/BindCraft/lib/python3.9/site-packages/pandas/core/dtypes/cast.py", line 138, in maybe_convert_platform arr = lib.maybe_convert_objects(arr) File "lib.pyx", line 2538, in pandas._libs.lib.maybe_convert_objects TypeError: Cannot convert numpy.ndarray to numpy.ndarray

Thank you for your support!

LandonGetz commented 1 month ago

I also hit this error after following the solutions in #2, but I managed to get around this by reinstalling jax (guided by some suggestions also in #2). pip install --force-reinstall jax

joerloeffler commented 1 month ago

@LandonGetz this seems to do the trick! Thank you for the suggestion!!!