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2017-04-11changed compound to predict fixed testgebele
2017-03-31adjusted classification tests for min sim 0.1gebele
2017-03-31set default min sim to 0.1 for classification and 0.5 for regressiongebele
2017-03-28fixed wrong accuracy assertion to rmsegebele
2017-03-24adjusted for higher default similarity min valuegebele
2017-03-24adjusted for higher similarity min valuegebele
2017-03-21fixed regression test for rf algorithm see: 'loael edit' commit;along with la...gebele
2017-03-21fixed test_to_csvgebele
2017-01-19fixed feature test and unique_descriptorsgebele
2017-01-12source uris for core and coatingChristoph Helma
2017-01-10independent_variables stored in GridFS to avoid Mongo database size limit pro...Christoph Helma
2016-11-25algorithms accessor for Model::ValidationChristoph Helma
2016-11-11p-chem regression and enm import fixedChristoph Helma
2016-11-11enm import fixedChristoph Helma
2016-11-10Model::NanoPrediction parametersChristoph Helma
2016-11-10intermediate commit, may be defunctChristoph Helma
2016-11-09CDK 2.0Christoph Helma
2016-11-08probability plot for classificationChristoph Helma
2016-10-28adjusted r^2 removed (does not apply well to local models)Christoph Helma
2016-10-27probability plot for classification validationsChristoph Helma
2016-10-14git commit added to model metadataChristoph Helma
2016-10-13tests passChristoph Helma
2016-10-13compound tests fixedChristoph Helma
2016-10-13model tests separated and cleanedChristoph Helma
2016-10-13classification fixedChristoph Helma
2016-10-13descriptor tests fixedChristoph Helma
2016-10-13test_physchem fixedChristoph Helma
2016-10-13molecular_weight fixedChristoph Helma
2016-10-12physchem regression, correlation_filter for fingerprintsChristoph Helma
2016-10-07remaining tests fixedChristoph Helma
2016-10-07unified interface for prediction algorithmsChristoph Helma
2016-10-06nano caret regression fixedChristoph Helma
2016-10-05classification and regression testsChristoph Helma
2016-10-05compound and descriptor tests fixedChristoph Helma
2016-10-05substance and nanoparticle model creation and predictionsChristoph Helma
2016-10-03initial model creation testsChristoph Helma
2016-09-26 resource_not_found_error changed to not_found_error to match new RestClien...Christoph Helma
2016-07-25local_weighted_average fallback fixed, cv predictions pulled from validations...Christoph Helma
2016-06-08compound tests fixedChristoph Helma
2016-06-07(repeated)crossvalidation plotsChristoph Helma
2016-06-03random forest regressionChristoph Helma
2016-06-02proteomics regression validationChristoph Helma
2016-06-02local pls regression for nanoparticle proteomicsChristoph Helma
2016-06-02local pls regression for nanoparticlesChristoph Helma
2016-06-01all tests fixedChristoph Helma
2016-06-01validation tests fixedChristoph Helma
2016-05-31cleanup of validation modules/classesChristoph Helma
2016-05-27first correlation of nanoparticle predictionsChristoph Helma
2016-05-24tests fixed. DescriptorTest#test_compound_all may fail within all.rbChristoph Helma
2016-05-24dataset tests fixedChristoph Helma