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Releases: mcs07/PubChemPy

PubChemPy v1.0.4

11 Apr 18:38
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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  • Two substance tests out-of-date #20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)

PubChemPy v1.0.3

24 Mar 18:12
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PubChemPy release version 1.0.3

PubChemPy 1.0.2

02 Apr 10:50
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v1.0.2

Add some Assay documentation

PubChemPy 1.0.1

06 Jan 14:07
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v1.0.1

Bump version to 1.0.1

PubChemPy 1.0

06 Jan 13:42
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v1.0

Add setup.py and installation instructions