2018-11-12 helma@in-silico.chPubChem classification download
2018-11-06 helma@in-silico.chsdf export fixed
2018-11-02 helma@in-silico.chwarnings fixed, cleanup
2018-10-31 helma@in-silico.chpubchem import for openrisknet
2018-10-30 helma@in-silico.chdataset merge
2018-10-30 helma@in-silico.chtests fixed
2018-10-30 helma@in-silico.chregression feature names fixed
2018-10-29 helma@in-silico.chdataset predictions fixed
2018-10-29 helma@in-silico.chdataset folds fixed
2018-10-25 helma@in-silico.chdataset merge
2018-10-24 helma@in-silico.chdataset tests fixed
2018-10-24 helma@in-silico.chdataset map feature_classes
2018-10-12 helma@in-silico.chvalidation statistic fixes
2018-10-11 helma@in-silico.chinitial dataset batch prediction
2018-10-10 helma@in-silico.chdataset tests fixed
2018-10-10 helma@in-silico.chcompound name resolution from pubchem, chembl disabled
2018-10-10 helma@in-silico.chmore differentiated feature classes
2018-10-09 helma@in-silico.chskip rf classification tasks
2018-10-09 helma@in-silico.chtentative random forest classification: hangs unpredict... mutanew
2018-10-07 helma@in-silico.chdataset merge with feature/value maps
2018-10-05 helma@in-silico.chpartial pubchem classification import
2018-10-05 helma@in-silico.chsdf import, csv files with id column
2018-09-17 helma@in-silico.chsmiles as identifier for sdf export
2018-09-06 helma@in-silico.chadjusted classification similarities, dataset sdf export
2018-08-14 helma@in-silico.chclassification min_sim=0.5, 5 repeated cvs
2018-07-26 gebeleadd positive delog method
2018-04-27 gebelefixed version path
2018-04-27 gebelefixed version path
2018-04-26 gebeleversion bump v1.1.2
2018-04-26 gebeleMerge branch 'development'
2018-04-26 gebeleadd git or gem versioning to model
2018-04-03 gebelemerge development v1.1.1
2018-01-17 gebeleunmuted enm import; mute cleanup
2018-01-17 gebeleremoved libPath test
2018-01-17 gebelechanged assertion value
2018-01-17 gebelechanged assertion value
2018-01-15 gebeleadded R packages test
2018-01-15 gebeleadded R packages test
2018-01-15 gebelemuted enm import
2017-08-14 gebelebumped version
2017-08-14 gebelebumped version
2017-08-08 gebeleadded model field for qmrf metadata
2017-08-04 gebelescript to convert mol to mmol -log10 in training dataset
2017-07-06 gebelecleanup test db
2017-06-30 gebeleconsistend use of RestClientWrapper to import datasets
2017-06-09 gebeleadded addressable gem to avoid URI::InvalidURIError
2017-05-26 gebelebumped version to 1.1.0 v1.1.0
2017-05-26 gebeleMerge branch 'development'
2017-05-26 gebeleMerge branch 'master' of
2017-05-22 gebelefix for lower min sim threshold
2017-05-05 gebeleadded warnings field for leave-one-out test fails
2017-05-04 gebelecleanup and hack for mongos file size limit
2017-05-04 gebeleensure always two probability values for classification
2017-05-04 gebeleensure warnings for validation statistics
2017-04-11 gebelechanged compound to predict fixed test
2017-03-31 gebeleadjusted classification tests for min sim 0.1
2017-03-31 gebeleset default min sim to 0.1 for classification and 0...
2017-03-28 gebelefixed wrong accuracy assertion to rmse
2017-03-24 gebeleadjusted for higher default similarity min value
2017-03-24 gebeleadjusted for higher similarity min value
2017-03-21 gebelefixed regression test for rf algorithm see: 'loael...
2017-03-21 gebelefixed endless loop; rescue for missing neighbors
2017-03-21 gebelefixed test_to_csv
2017-03-16 gebeleMerge branch 'master' into development
2017-03-16 gebeledetect and use a central mongodb
2017-03-16 gebeleMerge branch 'development' of
2017-03-16 gebeleloael edit
2017-03-03 gebeleMerge branch 'master' into development
2017-02-20 Christoph Helmaworst predictions fixed for regression nano-lazar-paper.revision
2017-02-18 Christoph Helmafixed header for nano-lazar correlation plots
2017-02-10 gebeleMerge branch 'master' of
2017-02-03 Christoph Helmablock idents
2017-02-03 Christoph Helmatypos fixed
2017-02-03 Christoph Helmaalgorithm selection tutorial
2017-01-19 gebeleadded TODO for missing descriptor
2017-01-19 gebelefixed feature test and unique_descriptors
2017-01-18 gebelebumped version v1.0.1
2017-01-18 gebelefixed merge
2017-01-16 gebelemerge development
2017-01-12 Christoph Helmasource uris for core and coating
2017-01-11 Christoph Helmadocumentation for all classes
2017-01-11 Christoph Helmatraining test set validation documentation
2017-01-11 Christoph HelmaLOO documentation
2017-01-11 Christoph Helmavalidation documentation
2017-01-11 Christoph Helmamodel documentation updated
2017-01-10 Christoph Helmamodel documentation
2017-01-10 Christoph Helmainitial model documentation
2017-01-10 Christoph CV information fixed
2017-01-10 Christoph headings fixed
2017-01-10 Christoph HelmaBrief tutorial in
2017-01-10 Christoph Helmaindependent_variables stored in GridFS to avoid Mongo...
2016-12-20 gebeleMerge branch 'development' 1.0.0
2016-12-20 Christoph Helmatrue_rate, predictivity stored in crossvalidation nano-lazar-paper.submission
2016-12-18 Christoph Helmamodena import modifications removed
2016-12-12 Christoph Helma5 repeated cvs for enm
2016-12-12 Christoph Helmamodena import workarounds
2016-12-12 gebelemerged development
2016-12-08 Christoph Helmamerged origin/development
2016-12-08 Christoph HelmaOpenTox::Validation::RepeatedCrossValidation fixed...
2016-12-06 gebelefull class name required