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2018-11-16real datasets for testing, test data cleanup, Daphnia import, upper and lower...helma@in-silico.ch
2018-11-14bad_request_error substituted with ArgumentErrorhelma@in-silico.ch
2018-11-02warnings fixed, cleanuphelma@in-silico.ch
2018-10-29dataset folds fixedhelma@in-silico.ch
2018-10-12validation statistic fixeshelma@in-silico.ch
2018-09-06adjusted classification similarities, dataset sdf exporthelma@in-silico.ch
2018-08-14classification min_sim=0.5, 5 repeated cvshelma@in-silico.ch
2017-05-04ensure warnings for validation statisticsgebele
2017-01-11validation documentationChristoph Helma
2016-12-125 repeated cvs for enmChristoph Helma
2016-11-11p-chem regression and enm import fixedChristoph Helma
2016-10-28adjusted r^2 removed (does not apply well to local models)Christoph Helma
2016-10-27probability plot for classification validationsChristoph Helma
2016-10-07unified interface for prediction algorithmsChristoph Helma
2016-07-25local_weighted_average fallback fixed, cv predictions pulled from validations...Christoph Helma
2016-06-07(repeated)crossvalidation plotsChristoph Helma
2016-06-01validation tests fixedChristoph Helma
2016-05-31cleanup of validation modules/classesChristoph Helma
2016-05-27first correlation of nanoparticle predictionsChristoph Helma
2016-05-13compound tests fixedChristoph Helma
2016-05-12enm study import fixedChristoph Helma
2016-05-08default validations fixedChristoph Helma
2016-05-04first reasonable results for nanoparticle crossvalidationChristoph Helma
2016-04-28nanoparticle crossvalidation technically workingChristoph Helma
2016-04-21probabilities branch mergedChristoph Helma
2016-04-21initial classification probabilitiesChristoph Helma
2016-04-15data_entries removed from datasets. datasets are now just containers for comp...Christoph Helma
2016-04-13validation tests passChristoph Helma
2016-04-12new dataset structureChristoph Helma
2016-04-01regression r^2 fixedChristoph Helma
2016-03-21added install script for R packages, updated README with install instructions...gebele
2016-03-15validation tests passChristoph Helma
2016-03-14descriptor testsChristoph Helma
2016-02-29regression crossvalidation fixedChristoph Helma
2016-02-27local pls regression as default regression algorithmfminerChristoph Helma
2016-02-13improved handling of duplicates in validationsChristoph Helma
2016-02-09pls regressionChristoph Helma
2016-01-08mg-mmol conversion fixedChristoph Helma
2015-11-04neighbor search delegated to database backendChristoph Helma
2015-10-19GridFS storage for data_entries removed (will break kazius/fminer models), la...Christoph Helma
2015-10-08crossvalidation plots, original classification confidenceChristoph Helma
2015-10-07generalised fingerprintsChristoph Helma
2015-09-23validations fixed (all models were executed with default parameters)Christoph Helma
2015-09-17neighbor calculation moved to Compound classChristoph Helma
2015-09-16repeated crossvalidations, improved experiment reportsChristoph Helma
2015-09-09fminer classification fixedChristoph Helma
2015-08-27Initial GUI for Nestec modelsChristoph Helma
2015-08-26Parallel CrossvalidationsChristoph Helma
2015-08-25Experiments addedChristoph Helma
2015-08-24Model::Prediction with tests, initial indexesv0.0.8Christoph Helma