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Releases: UCLCheminformatics/ScaffoldGraph

ScaffoldGraph-1.1.2

17 Jun 11:02
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  • Installation updates (install optional requirements with pip)
  • from_dataframe can read from existing rdkit Mols in specified smiles column

ScaffoldGraph-1.1.1

15 Feb 12:12
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Bug-fixes

  • Static files not included in installation

ScaffoldGraph-1.1.0

01 Feb 13:17
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New Features:

  • Cytoscape Visualizer (requires ipycytoscape)
  • Further visualization utilities
  • Basic diversity picker function

Other:

  • CI updates
  • Minor bug fixes
  • Limit to Python >= 3.6

ScaffoldGraph-1.0.4

18 Nov 12:38
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  • Minor bug-fixes
  • Make compatible with the most recent release of RDKit 2020.09.01

ScaffoldGraph-1.0.3

24 Sep 09:55
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  • Bug fixes
  • New features
  • Improved documentation
  • Improved tests

Bug fixes and new features

15 May 14:21
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Bug Fixes:

  • Fixed SMILES CLI issue #2
  • Fixed Pandas DataFrame supplier

New Features:

  • multiple new functions for improved useability e414581
  • tqdm progress bar now works in Jupyter 3b57fbe

Minor bug fixes for v1.0.0

20 Mar 13:20
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Minor bug fixes for v1.0.0

Initial Release

16 Dec 14:17
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The initial release of ScaffoldGraph.