Age | Commit message (Collapse) | Author | |
---|---|---|---|
2019-08-19 | sdf export fixed | Christoph Helma | |
2019-08-18 | fingerprint csv export | Christoph Helma | |
2019-06-21 | test_from_csv2 fixed, prefer merged_feature and transformed_feature in ↵ | Christoph Helma | |
to_training_csv | |||
2019-06-20 | separate csv serialisations for batch predictions and training data, ↵ | Christoph Helma | |
repeated measurements in mutagenicity dataset fixed, daphnia import fixed, CENTRAL_MONGO_IP removed | |||
2018-11-16 | confidence for prediction datasets | helma@in-silico.ch | |
2018-11-14 | bad_request_error substituted with ArgumentError | helma@in-silico.ch | |
2018-11-14 | public model validation, updated documentation | helma@in-silico.ch | |
2018-11-06 | sdf export fixed | helma@in-silico.ch | |
2018-11-02 | warnings fixed, cleanup | helma@in-silico.ch | |
2018-10-31 | pubchem import for openrisknet | helma@in-silico.ch | |
2018-10-30 | dataset merge | helma@in-silico.ch | |
2018-10-30 | tests fixed | helma@in-silico.ch | |
2018-10-29 | dataset predictions fixed | helma@in-silico.ch | |
2018-10-29 | dataset folds fixed | helma@in-silico.ch | |
2018-10-25 | dataset merge | helma@in-silico.ch | |
2018-10-24 | dataset tests fixed | helma@in-silico.ch | |
2018-10-24 | dataset mapfeature_classes | helma@in-silico.ch | |
2018-10-12 | validation statistic fixes | helma@in-silico.ch | |
2018-10-10 | dataset tests fixed | helma@in-silico.ch | |
2018-10-09 | tentative random forest classification: hangs unpredictably during caret ↵mutanew | helma@in-silico.ch | |
model generation/optimization for some (inorganic?) compounds. | |||
2018-10-07 | dataset merge with feature/value maps | helma@in-silico.ch | |
2018-10-05 | partial pubchem classification import | helma@in-silico.ch | |
2018-10-05 | sdf import, csv files with id column | helma@in-silico.ch | |
2018-09-17 | smiles as identifier for sdf export | helma@in-silico.ch | |
2018-09-06 | adjusted classification similarities, dataset sdf export | helma@in-silico.ch | |
2017-03-16 | loael edit | gebele | |
2017-01-11 | documentation for all classes | Christoph Helma | |
2016-10-14 | git commit added to model metadata | Christoph Helma | |
2016-10-07 | unified interface for prediction algorithms | Christoph Helma | |
2016-05-31 | cleanup of validation modules/classes | Christoph Helma | |
2016-05-27 | first correlation of nanoparticle predictions | Christoph Helma | |
2016-05-24 | tests fixed. DescriptorTest#test_compound_all may fail within all.rb | Christoph Helma | |
2016-05-24 | dataset tests fixed | Christoph Helma | |
2016-05-13 | compound tests fixed | Christoph Helma | |
2016-05-12 | enm study import fixed | Christoph Helma | |
2016-05-09 | nanoparticle models fixed | Christoph Helma | |
2016-05-08 | default validations fixed | Christoph Helma | |
2016-05-06 | dataset tests cleanup | Christoph Helma | |
2016-04-15 | enm study import | Christoph Helma | |
2016-04-15 | data_entries removed from datasets. datasets are now just containers for ↵ | Christoph Helma | |
compounds and features, feature values have to be retrieved from substances. | |||
2016-04-14 | features/toxicities fixed | Christoph Helma | |
2016-04-13 | validation tests pass | Christoph Helma | |
2016-04-12 | new dataset structure | Christoph Helma | |
2016-04-07 | initial ambit import | Christoph Helma | |
2016-03-15 | validation tests pass | Christoph Helma | |
2016-03-14 | descriptor tests | Christoph Helma | |
2016-03-14 | folds split on unique compounds instead of data entries | Christoph Helma | |
2016-02-29 | crossvalidation folds fixed for duplicates | Christoph Helma | |
2016-02-13 | improved handling of duplicates in validations | Christoph Helma | |
2016-01-08 | mg-mmol conversion fixed | Christoph Helma | |