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2016-04-15data_entries removed from datasets. datasets are now just containers for comp...Christoph Helma
2016-04-14features/toxicities fixedChristoph Helma
2016-04-13improved enm importChristoph Helma
2016-04-13new files addedChristoph Helma
2016-04-13validation tests passChristoph Helma
2016-04-12new dataset structureChristoph Helma
2016-04-08enm import testChristoph Helma
2016-04-08enm import testChristoph Helma
2016-04-07initial ambit importChristoph Helma
2016-04-04last commit doesnt work this waygebele
2016-04-04load local r packagesgebele
2016-04-01regression r^2 fixedChristoph Helma
2016-03-31lazar gem, version bumped to 0.9Christoph Helma
2016-03-30ensure pls package is loadedgebele
2016-03-24local R package installationChristoph Helma
2016-03-23prediction interval for regressionChristoph Helma
2016-03-21added install script for R packages, updated README with install instructions...gebele
2016-03-15validation test cleanupChristoph Helma
2016-03-15single tests passChristoph Helma
2016-03-15validation tests passChristoph Helma
2016-03-14descriptor testsChristoph Helma
2016-03-14getconf for number of coresChristoph Helma
2016-03-14folds split on unique compounds instead of data entriesChristoph Helma
2016-02-29modular regression algorithmsChristoph Helma
2016-02-29crossvalidation folds fixed for duplicatesChristoph Helma
2016-02-29regression crossvalidation fixedChristoph Helma
2016-02-28physchem calculation and storage in compoudsChristoph Helma
2016-02-28physchem feature classChristoph 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
2015-11-09leave one out validation implementedChristoph Helma
2015-11-04Merge branch 'development' of github.com:opentox/lazar into developmentChristoph Helma
2015-11-04neighbor search delegated to database backendChristoph Helma
2015-10-30error methods do only accept 1 argumentMicha Rautenberg
2015-10-30error methods do only accept 1 argumentMicha Rautenberg
2015-10-30added csv encode option windows-1251:utf-8v7-nestecgebele
2015-10-29Removed comment.davor
2015-10-29Added molecular weight to compound and mg conversionsdavor
2015-10-29check for whitespaces in smilesChristoph Helma
2015-10-29avoid duplicated obconversion in from_smilesgebele
2015-10-28always collect neighbors even if database hitgebele
2015-10-19GridFS storage for data_entries removed (will break kazius/fminer models), la...Christoph Helma
2015-10-08new environment variable LAZAR_ENV for databases and log levelsChristoph Helma
2015-10-08crossvalidation plots, original classification confidenceChristoph Helma
2015-10-07Merge branch 'development' of github.com:opentox/lazar into developmentChristoph Helma
2015-10-07confidence = similarity to nearest neighborChristoph Helma
2015-10-07generalised fingerprintsChristoph Helma
2015-09-30fixed typogebele
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