Published April 11, 2017
| Version v1.0.4
Software
Open
mcs07/PubChemPy: PubChemPy v1.0.4
- 1. National Taiwan University-Graduate Institute of Biomedical Electronics and Bioinformatics
- 2. :+1:
- 3. KTH Royal Institute of Technology
Description
Implemented enhancements:
- Discrepancy between the CACTVS fingerprint spec and Compound.fingerprint #15
- Using pubchempy / urllib behind proxy #11
Fixed bugs:
- Two substance tests out-of-date #20
- Xref-queries always 404 #18
- TypeError when trying to download a compund with None as cid #13
- On certain Compounds, the atoms() function fails #5
Merged pull requests:
- Switch to using pytest for tests #23 (mcs07)
- Decode CACTVS fingerprint to binary string #22 (mcs07)
- Allow requests with xref input #19 (RickardSjogren)
- add get_sdf function #17 (hsiaoyi0504)
- fix #13 check if identifier is None and raise an exception to let the user know that the identifier is invalid #14 (llazzaro)
- Add syntax highlighting and output to README example. #7 (bjodah)
Files
mcs07/PubChemPy-v1.0.4.zip
Files
(56.2 kB)
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Additional details
Related works
- Is supplement to
- https://github.com/mcs07/PubChemPy/tree/v1.0.4 (URL)