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2019-06-27fixed confidence value for cv stats; added testsgebele
2019-06-21measurement added for single neighborsChristoph Helma
2019-06-21test_from_csv2 fixed, prefer merged_feature and transformed_feature in ↵Christoph Helma
to_training_csv
2019-06-20separate csv serialisations for batch predictions and training data, ↵Christoph Helma
repeated measurements in mutagenicity dataset fixed, daphnia import fixed, CENTRAL_MONGO_IP removed
2018-11-16confidence for prediction datasetshelma@in-silico.ch
2018-11-16minor test fixeshelma@in-silico.ch
2018-11-16real datasets for testing, test data cleanup, Daphnia import, upper and ↵helma@in-silico.ch
lower similarity thresholds
2018-11-14bad_request_error substituted with ArgumentErrorhelma@in-silico.ch
2018-11-14public model validation, updated documentationhelma@in-silico.ch
2018-11-13public dataset downloadhelma@in-silico.ch
2018-11-12Mutagenicity downloadhelma@in-silico.ch
2018-11-12PubChem classification downloadhelma@in-silico.ch
2018-11-06sdf export fixedhelma@in-silico.ch
2018-11-02warnings fixed, cleanuphelma@in-silico.ch
2018-10-31pubchem import for openrisknethelma@in-silico.ch
2018-10-30dataset mergehelma@in-silico.ch
2018-10-30tests fixedhelma@in-silico.ch
2018-10-30regression feature names fixedhelma@in-silico.ch
2018-10-29dataset predictions fixedhelma@in-silico.ch
2018-10-29dataset folds fixedhelma@in-silico.ch
2018-10-25dataset mergehelma@in-silico.ch
2018-10-24dataset tests fixedhelma@in-silico.ch
2018-10-24dataset mapfeature_classeshelma@in-silico.ch
2018-10-12validation statistic fixeshelma@in-silico.ch
2018-10-11initial dataset batch predictionhelma@in-silico.ch
2018-10-10dataset tests fixedhelma@in-silico.ch
2018-10-10compound name resolution from pubchem, chembl disabledhelma@in-silico.ch
2018-10-10more differentiated feature classeshelma@in-silico.ch
2018-10-09tentative random forest classification: hangs unpredictably during caret ↵mutanewhelma@in-silico.ch
model generation/optimization for some (inorganic?) compounds.
2018-10-07dataset merge with feature/value mapshelma@in-silico.ch
2018-10-05partial pubchem classification importhelma@in-silico.ch
2018-10-05sdf import, csv files with id columnhelma@in-silico.ch
2018-09-17smiles as identifier for sdf exporthelma@in-silico.ch
2018-09-06adjusted classification similarities, dataset sdf exporthelma@in-silico.ch
2018-08-14classification min_sim=0.5, 5 repeated cvshelma@in-silico.ch
2018-07-26add positive delog methodgebele
2018-04-27fixed version pathgebele
2018-04-27fixed version pathgebele
2018-04-26add git or gem versioning to modelgebele
2018-01-15added R packages testgebele
2017-08-08added model field for qmrf metadatagebele
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
2017-03-31set default min sim to 0.1 for classification and 0.5 for regressiongebele
2017-03-21fixed endless loop; rescue for missing neighborsgebele