PubChemPy
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mcs07
Python wrapper for the PubChem PUG REST API.
I am getting this error continuously since last 24 hours. Traceback (most recent call last): File "/home/daiict-d/anaconda3/envs/gasTM/lib/python3.8/site-packages/pubchempy.py", line 271, in request response = urlopen(apiurl, postdata) File "/home/daiict-d/anaconda3/envs/gasTM/lib/python3.8/urllib/request.py", line 222, in...
Here is some test code:- ``` import pubchempy import json pubchem_id = '171839766' # '102200539' description = pubchempy.request(pubchem_id, operation='description') print(description) raw_data = description.read() encoding = description.info().get_content_charset('utf8') # JSON default description_data...
By change of syntax of the script and `pyproject.toml` file, execution and installation of pubchemy again is possible for Linux, Windows, and MacOS. The PR is coauthored by Peter Knowles...
Changes on side of the PubChem database and Python's syntax broke some of the checks with pytest defined until April 2017. Except for probing the readout of `mmff94_energy_3d` now commented...
Hi folks, due to our new feature in Beilstein Journals we would like to link from each submitted substance to the substance/compound entry in PubChem. Is it therefore possible to...
I would like to retrieve compounds by means of a cross reference, for example BiGG, ChEBI, KEGG compound or seed compound. PubChem clearly offers this functionality as explained in their...
Hello, I briefly used this API and it worked nicely, but I didn't realize that it has not been updated in a long time. Is there any updates or comments...
Canonical SMILES and Isometric SMILES are listed as deprecated in favor of SMILES on the PUG REST documentation [Link](https://pubchem.ncbi.nlm.nih.gov/docs/glossary#section=SMILES) Added capability to get SMILES string as follows: def run(Compound_Name): compounds...
match = re.match('(\d{2,7}-\d\d-\d)', syn) --> match = re.match(r'(\d{2,7}-\d\d-\d)', syn)
