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yoshida-lab / XenonPy

XenonPy is a Python Software for Materials Informatics
http://xenonpy.readthedocs.io
BSD 3-Clause "New" or "Revised" License
133 stars 57 forks source link

[WIP] Add neural message passing framework #117

Closed TsumiNa closed 5 years ago

TsumiNa commented 5 years ago

Implement #118

codecov[bot] commented 5 years ago

Codecov Report

Merging #117 into develop will decrease coverage by 1.49%. The diff coverage is 64.16%.

Impacted file tree graph

@@            Coverage Diff             @@
##           develop     #117     +/-   ##
==========================================
- Coverage    83.72%   82.22%   -1.5%     
==========================================
  Files           56       61      +5     
  Lines         4085     4310    +225     
==========================================
+ Hits          3420     3544    +124     
- Misses         665      766    +101
Impacted Files Coverage Δ
xenonpy/model/nn/__init__.py 100% <ø> (ø) :arrow_up:
xenonpy/model/nn/graph/crystal_graph_cnn.py 0% <0%> (ø)
xenonpy/model/nn/graph/__init__.py 0% <0%> (ø)
tests/descriptor/test_elemental.py 97.95% <100%> (ø) :arrow_up:
xenonpy/descriptor/graph/__init__.py 100% <100%> (ø)
xenonpy/descriptor/compositions.py 98.92% <100%> (ø)
xenonpy/descriptor/__init__.py 100% <100%> (ø) :arrow_up:
tests/descriptor/test_base_desc.py 98.36% <77.77%> (-1.08%) :arrow_down:
xenonpy/datatools/preset.py 92.15% <80%> (+0.23%) :arrow_up:
tests/datatools/test_preset.py 80.23% <85.71%> (+0.48%) :arrow_up:
... and 9 more

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