AgeCommit message (Expand)Author
2018-10-12validation statistic
2018-10-11initial dataset batch
2018-10-10dataset tests
2018-10-10compound name resolution from pubchem, chembl
2018-10-10more differentiated feature
2018-10-09skip rf classification
2018-10-09tentative random forest classification: hangs unpredictably during caret
2018-10-07dataset merge with feature/value
2018-10-05partial pubchem classification
2018-10-05sdf import, csv files with id
2018-09-17smiles as identifier for sdf
2018-09-06adjusted classification similarities, dataset sdf
2018-08-14classification min_sim=0.5, 5 repeated
2018-07-26add positive delog methodgebele
2018-04-27fixed version pathgebele
2018-04-27fixed version pathgebele
2018-04-26version bumpv1.1.2gebele
2018-04-26Merge branch 'development'gebele
2018-04-26add git or gem versioning to modelgebele
2018-04-03merge developmentv1.1.1gebele
2018-01-17unmuted enm import; mute cleanupgebele
2018-01-17removed libPath testgebele
2018-01-17changed assertion valuegebele
2018-01-17changed assertion valuegebele
2018-01-15added R packages testgebele
2018-01-15added R packages testgebele
2018-01-15muted enm importgebele
2017-08-14bumped versiongebele
2017-08-14bumped versiongebele
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
2017-05-26bumped version to 1.1.0v1.1.0gebele
2017-05-26Merge branch 'development'gebele
2017-05-26Merge branch 'master' of
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 la...gebele