Comments (3)
Hi @muammar thanks for your question! Preprocessing was done using the preprocess.py
script from https://github.com/maxhodak/keras-molecules. Let me know if you have any other questions!
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Hi @muammar thanks for your question! Preprocessing was done using the
preprocess.py
script from https://github.com/maxhodak/keras-molecules. Let me know if you have any other questions!
Thanks for your reply @aksub99 ! I tried using the repo you posted above and I get this error:
Traceback (most recent call last):
File "preprocess.py", line 86, in <module>
main()
File "preprocess.py", line 59, in main
h5f.create_dataset('charset', data = charset)
File "/home/elkhatim/miniconda3/envs/py38/lib/python3.8/site-packages/h5py/_hl/group.py", line 136, in create_dataset
dsid = dataset.make_new_dset(self, shape, dtype, data, **kwds)
File "/home/elkhatim/miniconda3/envs/py38/lib/python3.8/site-packages/h5py/_hl/dataset.py", line 118, in make_new_dset
tid = h5t.py_create(dtype, logical=1)
File "h5py/h5t.pyx", line 1634, in h5py.h5t.py_create
File "h5py/h5t.pyx", line 1656, in h5py.h5t.py_create
File "h5py/h5t.pyx", line 1717, in h5py.h5t.py_create
TypeError: No conversion path for dtype: dtype('<U1')
I am asking you because it seems to me that keras-molecules
is kind of abandoned... I wondered if you had any idea about this TypeError
?
Best,
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I actually remember getting the same error when I had used the code. I can't recall exactly how I fixed it but I vaguely remember that in lines 35 and 38 of preprocess.py
, I had made some simple typecasting fixes. So, I'd direct you towards those lines. Hope this helps!
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