AgeCommit message (Collapse)Author
2017-11-16added central rserve ipfeature/puregebele
2017-11-16added central rserve ipgebele
2017-11-16undo lastgebele
2017-11-16add rserve-client to Gemfilegebele
2017-11-16remove runtime dependency rserve-clientgebele
2017-11-14r remotegebele
2017-11-14remove central mongo and extgebele
2017-11-14remove rpackagesgebele
2017-11-14removed rinstallgebele
2017-08-08added model field for qmrf metadatagebele
2017-08-04script to convert mol to mmol -log10 in training datasetgebele
2017-07-06cleanup test dbgebele
2017-06-30consistend use of RestClientWrapper to import datasetsgebele
2017-06-09added addressable gem to avoid URI::InvalidURIErrorgebele
2017-05-22fix for lower min sim thresholdgebele
2017-05-05added warnings field for leave-one-out test failsgebele
2017-05-04cleanup and hack for mongos file size limitgebele
2017-05-04ensure always two probability values for classificationgebele
2017-05-04ensure warnings for validation statisticsgebele
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 ↵gebele
larger treining datasets
2017-03-21fixed endless loop; rescue for missing neighborsgebele
2017-03-21fixed test_to_csvgebele
2017-03-16Merge branch 'master' into developmentgebele
2017-03-16detect and use a central mongodbgebele
2017-03-16Merge branch 'development' of into developmentgebele
2017-03-16loael editgebele
2017-03-03Merge branch 'master' into developmentgebele
2017-02-20worst predictions fixed for regressionnano-lazar-paper.revisionChristoph Helma
2017-02-18fixed header for nano-lazar correlation plotsChristoph Helma
2017-02-03block identsChristoph Helma
2017-02-03typos fixedChristoph Helma
2017-02-03algorithm selection tutorialChristoph Helma
2017-01-19added TODO for missing descriptorgebele
2017-01-19fixed feature test and unique_descriptorsgebele
2017-01-18bumped versionv1.0.1gebele
2017-01-18fixed mergegebele
2017-01-12source uris for core and coatingChristoph Helma
2017-01-11documentation for all classesChristoph Helma
2017-01-11training test set validation documentationChristoph Helma
2017-01-11LOO documentationChristoph Helma
2017-01-11validation documentationChristoph Helma
2017-01-11model documentation updatedChristoph Helma
2017-01-10model documentationChristoph Helma
2017-01-10initial model documentationChristoph Helma