RubyGems - lazar - Versions diffs - 0.0.4 → 0.0.5 - Mend

lazar 0.0.4 → 0.0.5

Files changed (64) hide show

checksums.yaml +4 -4
metadata +18 -65
data/.gitignore +0 -10
data/.yardopts +0 -4
data/Gemfile +0 -2
data/LICENSE +0 -674
data/README.md +0 -44
data/Rakefile +0 -1
data/VERSION +0 -1
data/ext/lazar/Makefile +0 -5
data/java/CdkDescriptorInfo.class +0 -0
data/java/CdkDescriptorInfo.java +0 -22
data/java/CdkDescriptors.class +0 -0
data/java/CdkDescriptors.java +0 -141
data/java/Jmol.jar +0 -0
data/java/JoelibDescriptorInfo.class +0 -0
data/java/JoelibDescriptorInfo.java +0 -15
data/java/JoelibDescriptors.class +0 -0
data/java/JoelibDescriptors.java +0 -60
data/java/Rakefile +0 -15
data/java/cdk-1.4.19.jar +0 -0
data/java/joelib2.jar +0 -0
data/java/log4j.jar +0 -0
data/lazar.gemspec +0 -29
data/lib/SMARTS_InteLigand.txt +0 -983
data/mongoid.yml +0 -8
data/test/data/CPDBAS_v5c_1547_29Apr2008part.sdf +0 -13553
data/test/data/CPDBAS_v5d_cleaned/CPDBAS_v5d_20Nov2008_mouse_TD50.csv +0 -436
data/test/data/CPDBAS_v5d_cleaned/CPDBAS_v5d_20Nov2008_rat_TD50.csv +0 -568
data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Hamster.csv +0 -87
data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Mouse.csv +0 -978
data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_MultiCellCall.csv +0 -1120
data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_MultiCellCall_no_duplicates.csv +0 -1113
data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Mutagenicity.csv +0 -850
data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Mutagenicity_no_duplicates.csv +0 -829
data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Rat.csv +0 -1198
data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_SingleCellCall.csv +0 -1505
data/test/data/EPAFHM.csv +0 -618
data/test/data/EPAFHM.medi.csv +0 -100
data/test/data/EPAFHM.mini.csv +0 -22
data/test/data/EPA_v4b_Fathead_Minnow_Acute_Toxicity_LC50_mmol.csv +0 -581
data/test/data/FDA_v3b_Maximum_Recommended_Daily_Dose_mmol.csv +0 -1217
data/test/data/ISSCAN-multi.csv +0 -59
data/test/data/LOAEL_log_mg_corrected_smiles.csv +0 -568
data/test/data/LOAEL_log_mmol_corrected_smiles.csv +0 -568
data/test/data/acetaldehyde.sdf +0 -14
data/test/data/boiling_points.ext.sdf +0 -11460
data/test/data/cpdb_100.csv +0 -101
data/test/data/hamster_carcinogenicity.csv +0 -86
data/test/data/hamster_carcinogenicity.mini.bool_float.csv +0 -11
data/test/data/hamster_carcinogenicity.mini.bool_int.csv +0 -11
data/test/data/hamster_carcinogenicity.mini.bool_string.csv +0 -11
data/test/data/hamster_carcinogenicity.mini.csv +0 -11
data/test/data/hamster_carcinogenicity.ntriples +0 -618
data/test/data/hamster_carcinogenicity.sdf +0 -2805
data/test/data/hamster_carcinogenicity.xls +0 -0
data/test/data/hamster_carcinogenicity.yaml +0 -352
data/test/data/hamster_carcinogenicity_with_errors.csv +0 -88
data/test/data/kazius.csv +0 -4070
data/test/data/multi_cell_call.csv +0 -1067
data/test/data/multi_cell_call_no_dup.csv +0 -1057
data/test/data/multicolumn.csv +0 -8
data/test/data/rat_feature_dataset.csv +0 -1179
data/test/data/wrong_dataset.csv +0 -8

data/test/data/multicolumn.csv DELETED Viewed

@@ -1,8 +0,0 @@
-SMILES, Hamster Carcinogenicity, numeric feature, classification, mixed, string, regression
-c1ccccc1NN                                   , 1, 1, true , true , test, 1.1
-C12C3=C(C=CC=C3)CC1=CC(=CC=2)NC(C)=O         , 1, 2, false, 7.5  , test, 0.24
-O=C(N)\C(C2=CC=CO2)=C/C1=CC=C([N+]([O-])=O)O1, 1, 3, true , 5    , test, 3578.239
-C1(N=CNN=1)N                                 , 0, 4, false, false, test, -2.35
-O=C(N)\C(C2=CC=CO2)=C/C1=CC=C([N+]([O-])=O)O1, 1, 2, true , 4    , test_2, 1
-C1(N=CNN=1)N                                 , 1, 2, false, false, test, -1.5
-c1nccc1                                      , 1,  , false,      , , 1.0

data/test/data/rat_feature_dataset.csv DELETED Viewed

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