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AgeCommit message (Expand)Author
2021-02-12model.rb refactored, mp2d models updatedChristoph Helma
2020-10-13mutagenicity downloads moved, PaDEL metadataChristoph Helma
2019-09-07obsolete data and java directories deletedChristoph Helma
2019-08-24initial refactored version for mutagenicity paperChristoph Helma
2019-08-19temporary commit before branching - Dataset.from_descriptor_csv_file is brokenChristoph Helma
2019-08-19property import from csv fileChristoph Helma
2019-08-19sdf export fixedChristoph Helma
2019-08-18fingerprint csv exportChristoph Helma
2019-06-21test_from_csv2 fixed, prefer merged_feature and transformed_feature in to_tra...Christoph Helma
2019-06-20separate csv serialisations for batch predictions and training data, repeated...Christoph Helma
2018-11-16confidence for prediction datasetshelma@in-silico.ch
2018-11-14bad_request_error substituted with ArgumentErrorhelma@in-silico.ch
2018-11-14public model validation, updated documentationhelma@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
2018-10-29dataset 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
2018-10-10dataset tests fixedhelma@in-silico.ch
2018-10-09tentative random forest classification: hangs unpredictably during caret mode...mutanewhelma@in-silico.ch
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
2017-03-16loael editgebele
2017-01-11documentation for all classesChristoph Helma
2016-10-14git commit added to model metadataChristoph Helma
2016-10-07unified interface for prediction algorithmsChristoph Helma
2016-05-31cleanup of validation modules/classesChristoph Helma
2016-05-27first correlation of nanoparticle predictionsChristoph Helma
2016-05-24tests fixed. DescriptorTest#test_compound_all may fail within all.rbChristoph Helma
2016-05-24dataset tests fixedChristoph Helma
2016-05-13compound tests fixedChristoph Helma
2016-05-12enm study import fixedChristoph Helma
2016-05-09nanoparticle models fixedChristoph Helma
2016-05-08default validations fixedChristoph Helma
2016-05-06dataset tests cleanupChristoph Helma
2016-04-15enm study importChristoph Helma
2016-04-15data_entries removed from datasets. datasets are now just containers for comp...Christoph Helma
2016-04-14features/toxicities fixedChristoph Helma
2016-04-13validation tests passChristoph Helma
2016-04-12new dataset structureChristoph Helma
2016-04-07initial ambit importChristoph Helma
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