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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 ↵developmentChristoph Helma
ssh://git.in-silico.ch:2222/home/ist/public/lazar into development
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
on my system
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, ↵gebele
see comment
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 ↵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
2018-10-09skip rf classification taskshelma@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
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