AgeCommit message (Expand)Author
2021-06-25model validations and pa predictions addedmutagenicity-paperChristoph Helma
2021-03-18fingerprint predictions addedsingle-input-fileChristoph Helma
2021-03-08neighbor selction adjusted, summary for high-confidence predictionsChristoph Helma
2021-03-08cdk predictions fixedChristoph Helma
2021-02-12model.rb refactored, mp2d models updatedChristoph Helma
2020-12-28batch processing scripts addedwithout_mongodbChristoph Helma
2020-12-28file prediction output updatedChristoph Helma
2020-10-13mutagenicity downloads moved, PaDEL metadataChristoph Helma
2019-09-07obsolete data and java directories deletedChristoph Helma
2019-08-24obsolete files removedChristoph 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
2019-08-19Merge branch 'development' of ssh:// Helma
2019-08-19sdf export fixedChristoph Helma
2019-08-18fingerprint csv exportChristoph Helma
2019-07-23updated training data without Mutagenicity because xls2csv is not recognized ...gebele
2019-07-16always render new correlation plot; keep same handling as for probability plotgebele
2019-07-12fixed, probability plot format was not taken from params for filenamegebele
2019-07-02adding text message for assertions; remove value check for regression test, s...gebele
2019-06-27fixed confidence value for cv stats; added testsgebele
2019-06-21comments removedtriples_data_entriesChristoph Helma
2019-06-21measurement added for single neighborsChristoph 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
2018-11-16minor test
2018-11-16real datasets for testing, test data cleanup, Daphnia import, upper and
2018-11-14bad_request_error substituted with
2018-11-14public model validation, updated
2018-11-13public dataset
2018-11-12PubChem classification
2018-11-06sdf export
2018-11-02warnings fixed,
2018-10-31pubchem import for
2018-10-30regression feature names
2018-10-29dataset predictions
2018-10-29dataset folds
2018-10-24dataset tests
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