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josejimenezluna / delfta

Δ-QML for medicinal chemistry
GNU Affero General Public License v3.0
96 stars 16 forks source link

wbonew #73

Closed josejimenezluna closed 3 years ago

josejimenezluna commented 3 years ago

wbo fully-connected graph functionality added

codecov-commenter commented 3 years ago

Codecov Report

Merging #73 (4249daf) into master (091ef8a) will increase coverage by 0.14%. The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #73      +/-   ##
==========================================
+ Coverage   92.05%   92.20%   +0.14%     
==========================================
  Files           7        7              
  Lines         730      744      +14     
==========================================
+ Hits          672      686      +14     
  Misses         58       58
Impacted Files Coverage Δ
delfta/calculator.py 93.05% <100.00%> (+0.37%) :arrow_up:
delfta/download.py 46.51% <100.00%> (ø)
delfta/net_utils.py 100.00% <100.00%> (ø)
delfta/utils.py 78.12% <100.00%> (+6.12%) :arrow_up:
delfta/xtb.py 90.90% <100.00%> (-0.62%) :arrow_down:

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