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v1.5.0
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@NishaSharma14 NishaSharma14 released this 11 Sep 21:34
v1.5.0
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1.5.0 (2023-09-11)

Features

  • extend Tanimoto similarity calculation functionality (6e89091)
  • include CDK CircularFingerprinter (f728c92)

Bug Fixes

  • added empty molecule checks for sugar removal routines - resolves #386 (0b8414d)
  • parameters for CDK Tanimoto calculation (0f0fae6)
  • python docstrings (dc6ef81)
  • reenabled ocsr module (4cd86e6)
  • removed exception for empty IAtomContainer - returning empty string for now (needs a more informative json response in future releases) (85fb17f)
  • resolves #387, #388 (593342c)
  • tanimoto test (f83d7ba, 70ccec0)
  • test case failing issue fix and OCSR parameter description fixes (e72dcbc)
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