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Showing posts with label chemdataextractor. Show all posts
Showing posts with label chemdataextractor. Show all posts

Install and use chemdataextractor

conda install -c chemdataextractor chemdataextractor
or
pip install ChemDataExtractor

(For more info, see this docs page.)

Use:

In the termial, type python and enter

>>> doc = Document('UV-vis spectrum of 5,10,15,20-Tetra(4-carboxyphenyl)porphyrin in Tetrahydrofuran (THF).')

>>> doc.cems

I get following error.

Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
  File "/home/lib/python2.7/site-packages/chemdataextractor/doc/document.py", line 355, in cems
    return list(set([n for el in self.elements for n in el.cems]))
  File "/home/lib/python2.7/site-packages/chemdataextractor/doc/text.py", line 213, in cems
    return [cem for sent in self.sentences for cem in sent.cems]
    raise ModelNotFoundError('Could not load %s. Have you run `cde data download`?' % path)
chemdataextractor.errors.ModelNotFoundError: Could not load models/punkt_chem-1.0.pickle. Have you run `cde data download`?

It seems that the chemdataextractor project is not updated for last 3 years. However, the authors publish new papers based on this package.

Also note that this package works with Python 3.6.0 version of python or earlier version. It throws bugs if you use with later version of python.


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