Closed hadim closed 1 year ago
Merging #208 (be52130) into main (fc0431b) will decrease coverage by
0.13%
. The diff coverage is63.15%
.
@@ Coverage Diff @@
## main #208 +/- ##
==========================================
- Coverage 92.07% 91.94% -0.13%
==========================================
Files 46 46
Lines 3809 3826 +17
==========================================
+ Hits 3507 3518 +11
- Misses 302 308 +6
Flag | Coverage Δ | |
---|---|---|
unittests | 91.94% <63.15%> (-0.13%) |
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Flags with carried forward coverage won't be shown. Click here to find out more.
Files Changed | Coverage Δ | |
---|---|---|
datamol/descriptors/descriptors.py | 90.90% <0.00%> (ø) |
|
datamol/fragment/_fragment.py | 90.80% <0.00%> (ø) |
|
datamol/graph.py | 97.39% <ø> (-0.03%) |
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datamol/isomers/_structural.py | 88.11% <ø> (-0.24%) |
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datamol/mol.py | 97.00% <0.00%> (ø) |
|
datamol/utils/perf.py | 96.87% <ø> (-0.19%) |
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datamol/fragment/_assemble.py | 80.40% <33.33%> (ø) |
|
datamol/scaffold/_fuzzy.py | 90.44% <50.00%> (ø) |
|
datamol/data/__init__.py | 78.30% <72.00%> (-1.22%) |
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datamol/conformers/_features.py | 91.07% <100.00%> (-0.16%) |
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... and 2 more |
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Changelogs
dm.chembl_drugs()
anddm.chembl_samples()
. Those cover a more drug like and diverse chemical space than the existing ones, so they might be convenient for various prototyping and development situations.ruff
and runruff
in CI.Checklist:
feature
,fix
ortest
(or ask a maintainer to do it for you).discussion related to that PR