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Releases: chembl/FPSim2

0.5.2

13 Aug 11:47
@eloyfelix eloyfelix
0.5.2
7a350de
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0.5.2 Latest
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  • NumPy 2.0 compatibility
  • No Python 3.9 builds because of PyTables
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0.5.1

15 Feb 10:50
@eloyfelix eloyfelix
0.5.1
5f62f01
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0.5.1
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0.5.0

25 Oct 15:23
@eloyfelix eloyfelix
0.5.0
ae02e00
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0.5.0
  • Python 3.12 compatibility
  • Minimum PyTables required version: 3.9.1
  • Minimum Python required version: 3.9
  • query molecule can be now an RDKit object
Assets 2
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0.4.5

29 Mar 11:52
@eloyfelix eloyfelix
0.4.5
2948019
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0.4.5

  • fix cuda engine

  • try/except for inchi parsing

  • keep it compatible with SQLA 1.4.7

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0.4.4

26 Feb 21:28
@eloyfelix eloyfelix
0.4.4
bed59f4
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0.4.4

pg schema usage

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0.4.3

26 Feb 09:14
@eloyfelix eloyfelix
0.4.3
79f7616
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0.4.3
  • SQLAlchemy 2.0
  • Oracle support
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0.4.2

25 Dec 15:55
@eloyfelix eloyfelix
0.4.2
e0dec1a
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0.4.2
  • optimise memory usage in SQLAlchemy backend
  • Python 3.11 wheels
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0.4.1

26 Nov 00:19
@eloyfelix eloyfelix
0.4.1
3d29e55
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0.4.1
  • keep headers in tar.gz source package
  • fix README in Pypi
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0.4.0

25 Nov 18:31
@eloyfelix eloyfelix
0.4.0
532535f
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0.4.0
  • pip installable
  • databases (MySQL and PostgreSQL) as storage for fingerprints
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0.3.0

14 Apr 16:57
@eloyfelix eloyfelix
0.3.0
14c4493
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0.3.0
  • Python3.10 support for Windows
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