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AgeCommit message (Expand)Author
2015-09-16repeated crossvalidations, improved experiment reportsChristoph Helma
2015-09-14tests for Model::Prediction.[classification|regression]?Christoph Helma
2015-09-14training_dataset moved to base Model classChristoph Helma
2015-09-14attr_accessor :training_dataset removed in Lazar modelsChristoph Helma
2015-09-14classification? and regression? methods for Model::PredictionChristoph Helma
2015-09-10tests fixed (crossvalidations may fail due to memory constraints)Christoph Helma
2015-09-09fminer classification fixedChristoph Helma
2015-09-01undo ruby versiongebele
2015-08-31set required RUBY versiongebele
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
2015-08-20crossvalidation fixesv0.0.7Christoph Helma
2015-08-19new development HEADv0.0.6Christoph Helma
2015-08-19git calls reintroduced into lazar.gemspec to avoid file losses. Seems to work...Christoph Helma
2015-08-19git calls removed from lazar.gemspec (git does not work when installed as a gem)Christoph Helma
2015-08-19VERSION bumped to 0.0.4v0.0.4Christoph Helma
2015-08-19VERSION bumped to 0.0.4v0.0.5Christoph Helma
2015-08-19Makefile fixedChristoph Helma
2015-08-19VERSION bumped to 0.0.3v0.0.3Christoph Helma
2015-08-19ext/lazar/Makefile addedChristoph Helma
2015-08-19VERSION bumped to 0.0.2v0.0.2Christoph Helma
2015-08-19dummy Makefile for ext/lazar/extconf.rbChristoph Helma
2015-08-19versioning started at 0.0.1v0.0.1Christoph Helma
2015-08-19name conversion fixedv1.0.0beta1Christoph Helma
2015-08-19hydrogens added for 3d generationChristoph Helma
2015-08-19ob_{include|lib} paths fixedChristoph Helma
2015-08-19libfminer rpath fixed, installation instructionsChristoph Helma
2015-08-18initial installation fixes, installs on Debian 3.16.7ch
2015-08-18first attempt at installing openbabel from githubChristoph Helma
2015-08-15openbabel and fminer installation addedChristoph Helma
2015-08-15java libraries addedChristoph Helma
2015-08-15initial installation scriptChristoph Helma
2015-08-13majority of tests workingChristoph Helma
2015-08-13OpenBabel can (canonical smiles) instead of inchi as internal identifier to a...Christoph Helma
2015-08-10algorithm libraries added, fminer tests passChristoph Helma
2015-08-10transfer to new git project startedChristoph Helma
2015-08-09customized prediction algorithms implementedChristoph Helma
2015-08-07SMARTS_InteLigand.txt addedChristoph Helma
2015-08-07initial k-nn weighted average implementationChristoph Helma
2015-08-03initial classification validationChristoph Helma
2015-08-0150 times faster bbrc setup by eliminating @fminer.add_fminer_dataChristoph Helma
2015-07-31intermediary commitChristoph Helma
2015-07-31descriptor tests workingChristoph Helma
2015-07-29kazius lazar predictions workingChristoph Helma
2015-07-29bbrc features for kazius with minfreq 20 successfully created and storedChristoph Helma
2015-07-29save data_entries in GridFS (fastest method up to now)Christoph Helma
2015-07-27reasonable query performace for data_entriesChristoph Helma
2015-07-22mongo batch import workaroundChristoph Helma