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2015-08-04set versions of statsample and gsl to fix nightly errorsdevelopmentMicha Rautenberg
2015-07-30set openbabel gem to version 2.3.2.1Micha Rautenberg
2015-07-02API: add descriptor get routesrautenberg
2015-07-02API: add descriptor get routesrautenberg
2015-07-02API: post /fminer/bbrc and /fminer/last set param prediction_feature to ↵rautenberg
requested true
2015-07-02API: add routes post: /fminer/bbrc and /fminer/lastrautenberg
2015-06-25add default accept type for representations in APIrautenberg
2015-06-25add more routes to APIrautenberg
2015-06-25add /algorithm/lazar/predict route to APIrautenberg
2015-06-18hotfix for wrong PATH_INFO in request env /algorithm/api/algorithm.json is ↵rautenberg
/api/algorithm.json part 2
2015-06-18hotfix for wrong PATH_INFO in request env /algorithm/api/algorithm.json is ↵rautenberg
/api/algorithm.json
2015-06-18initial swagger API docs for algorithm/lazarrautenberg
2014-11-05fixed type definitiongebele
2014-10-30provide descriptor valuesmguetlein
2014-10-30add arom detection to cdk feature generationmguetlein
2014-10-21fix lazar regression prediction for more than one compoundmguetlein
2014-10-21fix lazar regression prediction for more than one compound, copy old ↵mguetlein
prediction for equal compound, add debug messages
2014-10-17add babel_3d_cache folder, second try (deleteing the dummy file does delete ↵mguetlein
the folder)
2014-10-17remove file within dir againmguetlein
2014-10-17Merge branch 'development' of ssh://github.com/opentox/algorithm into ↵mguetlein
development
2014-10-17addding babel_3d_cache directorymguetlein
2014-10-16Fixed env variable for R install.ist
2014-10-10add per compound caching for 3d generationmguetlein
2014-10-10extend model building and prediction to accept feature_dataset_uri (instead ↵mguetlein
of feature_generation_uri) again
2014-10-10fix cdkdescriptor calculation: find classes with 'descriptor' in the middle ↵mguetlein
of the class name
2014-10-10recommit with correct descriptor.rb: fix storing feature datasets for ↵mguetlein
dataset with duplicate compounds, preserve feature order
2014-10-10Revert "fix storing feature datasets for dataset with duplicate compounds, ↵mguetlein
preserve feature order" This reverts commit 02e63dd161f07b9ec750af61b933ce60c34be42c.
2014-10-10Merge branch 'development' of ssh://github.com/opentox/algorithm into ↵mguetlein
development
2014-10-10fix storing feature datasets for dataset with duplicate compounds, preserve ↵mguetlein
feature order
2014-10-09Use system variable for R mirror.davor
2014-10-08cdk descriptor class can now compoute single feature values (e.g. ↵mguetlein
Cdk.ALOGP.ALogP out of 3 values provided by Cdk.ALOG)
2014-10-08raise error when external program fails (i.e., cdk or joelib)mguetlein
2014-10-07fix calculation of cdk features for test compounds, fix error with missing ↵mguetlein
values in training data features in last column
2014-10-07fix 3d structure caching, add debug messages for descriptor calculation ↵mguetlein
(this may take quite some time)
2014-10-07print status in cdk desc calculation, this may take some timemguetlein
2014-10-06fix error in regression-predictionsmguetlein
2014-10-01add proper error when loading R-packages failesmguetlein
2014-06-11update to ruby 2.0.0-p481 to solve openssl wheezy issueMicha Rautenberg
2013-10-17temp fix for: bundle install fails with ssl certificate verification err ↵rautenberg
(see: http://stackoverflow.com/questions/10246023/bundle-install-fails-with-ssl-certificate-verification-error)
2013-08-28avoid backend parser error by inconsistent string in triple objectgebele
2013-08-07Updated ruby to 2.0.0-p247davor
2013-07-17uri objects fixed in ntriples serialsiationChristoph Helma
2013-07-17dataset ntriples serialisation fixed and activatedChristoph Helma
2013-07-16subjectid handled by RestClientWrapperChristoph Helma
2013-07-12value type identification/conversion fixedChristoph Helma
2013-07-10descriptor-long test fixedChristoph Helma
2013-07-10Merge branch 'development' of github.com:opentox/algorithm into developmentChristoph Helma
2013-07-10subjectids partially removedChristoph Helma
2013-07-09Temporary modification for installer testing.davor
2013-07-09Set temporary openbabel path to specific version.davor