Releases: whitead/molbloom
Releases · whitead/molbloom
v2.1.0
11 Mar 04:54
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Added surechembl database to check for novelty of compounds. Low FPR of 0.000025
v2.0.0
12 Dec 07:43
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Added
Docstrings for custom filter building
Referred to Small World unofficial API in README
Citation
Removed
Removed buy_similar, since it duplicates Small World API fun
v1.0.0
11 Nov 01:47
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Added buy_similar function to query online database for similar compounds
v0.3.0
31 Oct 01:00
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Reduced package size
Improved managing of filters
Added zinc mini filter
v0.2.0
30 Oct 21:37
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Added custom filters + docs
Added canon function for ease of canonicalization
v0.1.5
30 Oct 16:05
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Initial public release and added wheel support
v0.1.2
30 Oct 14:08
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Changing to source dist, to avoid wheel binary incompatibilities we're seeing
v0.1.0
30 Oct 03:00
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Added cython to build dependency
v0.0.2
30 Oct 02:41
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v0.0.1
30 Oct 00:25
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