2015-10-30 gebeleadded csv encode option windows-1251:utf-8 v7-nestec
2015-10-29 davorRemoved comment.
2015-10-29 davorAdded molecular weight to compound and mg conversions
2015-10-29 Christoph Helmacheck for whitespaces in smiles
2015-10-29 gebeleavoid duplicated obconversion in from_smiles
2015-10-28 gebelealways collect neighbors even if database hit
2015-10-22 gebeleadded files and test for create dataset from file ...
2015-10-19 Christoph HelmaGridFS storage for data_entries removed (will break...
2015-10-08 Christoph Helmanew environment variable LAZAR_ENV for databases and...
2015-10-08 Christoph Helmanew master branch
2015-10-08 Christoph Helmaversion bump, experiment tests skipped
2015-10-08 Christoph Helmacrossvalidation plots, original classification confidence
2015-10-07 Christoph HelmaMerge branch 'development' of
2015-10-07 Christoph Helmaconfidence = similarity to nearest neighbor
2015-10-07 Christoph Helmageneralised fingerprints
2015-09-30 gebelefixed typo
2015-09-25 gebeleadded helper method 'dimension' for nested arrays
2015-09-24 Christoph Helmamean method for Arrays
2015-09-24 Christoph Helmafixed missing model_algorithm in experiments
2015-09-23 Christoph Helmavalidations fixed (all models were executed with defaul...
2015-09-18 Christoph Helmaimport of datasets without features fixed
2015-09-18 gebeleMerge branch 'development' of
2015-09-18 gebeleintroduced batch prediction file and test
2015-09-18 Christoph Helmafix for empty values
2015-09-17 Christoph Helmaneighbor calculation moved to Compound class
2015-09-16 Christoph Helmageneric openbabel fingerprints
2015-09-16 Christoph Helmarepeated crossvalidations, improved experiment reports
2015-09-14 Christoph Helmatests for Model::Prediction.[classification|regression]?
2015-09-14 Christoph Helmatraining_dataset moved to base Model class
2015-09-14 Christoph Helmaattr_accessor :training_dataset removed in Lazar models
2015-09-14 Christoph Helmaclassification? and regression? methods for Model:...
2015-09-10 Christoph Helmatests fixed (crossvalidations may fail due to memory...
2015-09-09 Christoph Helmafminer classification fixed
2015-09-01 gebeleundo ruby version
2015-08-31 gebeleset required RUBY version
2015-08-27 Christoph HelmaInitial GUI for Nestec models
2015-08-26 Christoph HelmaParallel Crossvalidations
2015-08-25 Christoph HelmaExperiments added
2015-08-24 Christoph HelmaModel::Prediction with tests, initial indexes v0.0.8
2015-08-20 Christoph Helmacrossvalidation fixes v0.0.7
2015-08-19 Christoph Helmanew development HEAD v0.0.6
2015-08-19 Christoph Helmagit calls reintroduced into lazar.gemspec to avoid...
2015-08-19 Christoph Helmagit calls removed from lazar.gemspec (git does not...
2015-08-19 Christoph HelmaVERSION bumped to 0.0.4 v0.0.4
2015-08-19 Christoph HelmaVERSION bumped to 0.0.4 v0.0.5
2015-08-19 Christoph HelmaMakefile fixed
2015-08-19 Christoph HelmaVERSION bumped to 0.0.3 v0.0.3
2015-08-19 Christoph Helmaext/lazar/Makefile added
2015-08-19 Christoph HelmaVERSION bumped to 0.0.2 v0.0.2
2015-08-19 Christoph Helmadummy Makefile for ext/lazar/extconf.rb
2015-08-19 Christoph Helmaversioning started at 0.0.1 v0.0.1
2015-08-19 Christoph Helmaname conversion fixed v1.0.0beta1
2015-08-19 Christoph Helmahydrogens added for 3d generation
2015-08-19 Christoph Helmaob_{include|lib} paths fixed
2015-08-19 Christoph Helmalibfminer rpath fixed, installation instructions
2015-08-18 chinitial installation fixes, installs on Debian 3.16.7
2015-08-18 Christoph Helmafirst attempt at installing openbabel from github
2015-08-15 Christoph Helmaopenbabel and fminer installation added
2015-08-15 Christoph Helmajava libraries added
2015-08-15 Christoph Helmainitial installation script
2015-08-13 Christoph Helmamajority of tests working
2015-08-13 Christoph HelmaOpenBabel can (canonical smiles) instead of inchi as...
2015-08-10 Christoph Helmaalgorithm libraries added, fminer tests pass
2015-08-10 Christoph Helmatransfer to new git project started
2015-08-09 Christoph HelmaInitial commit
2015-08-09 Christoph Helmacustomized prediction algorithms implemented
2015-08-07 Christoph HelmaSMARTS_InteLigand.txt added
2015-08-07 Christoph Helmainitial k-nn weighted average implementation
2015-08-03 Christoph Helmainitial classification validation
2015-08-01 Christoph Helma50 times faster bbrc setup by eliminating @fminer.add_f...
2015-07-31 Christoph Helmaintermediary commit
2015-07-31 Christoph Helmadescriptor tests working
2015-07-29 Christoph Helmakazius lazar predictions working
2015-07-29 Christoph Helmabbrc features for kazius with minfreq 20 successfully...
2015-07-29 Christoph Helmasave data_entries in GridFS (fastest method up to now)
2015-07-27 Christoph Helmareasonable query performace for data_entries
2015-07-22 Christoph Helmamongo batch import workaround
2015-07-21 Christoph Helmaintermediary commit before switching to generalised...
2015-07-19 Christoph Helmalazar predictions working in principle
2015-07-18 Christoph Helmainitial algorithm changes
2015-07-18 Christoph Helmadataset tests pass
2015-07-16 Christoph Helmatask tests passed
2015-07-16 Christoph Helmafeature tests for standalone version
2015-07-16 Christoph Helmastorage of uris instead of objects
2015-07-12 chinitial dataset tests
2015-07-08 chfeature, error and task (almost) working
2015-03-26 gebeleavoid data_entries nil error
2015-03-09 gebelereintroduce percentageCompleted for task progress;added...
2014-11-05 rautenbergMerge branch 'development' of
2014-11-05 rautenbergadd missing opening body tag in to_html method / remove...
2014-11-05 gebelefixed metadata call for find_or_create, flatten arrays...
2014-11-05 rautenbergadd missing opening body tag in to_html method
2014-11-05 rautenbergfix missing header hash in RestClientWrapper call
2014-11-04 rautenbergadd rescue to .features and .compounds methods to make...
2014-11-04 rautenbergMerge branch 'development' of
2014-11-04 rautenbergremove \!AA check
2014-10-30 mguetleinMerge branch 'development' of ssh://
2014-10-30 mguetleinadd option to filter out predictions from validation...
2014-10-30 mguetleinadd method to fetch descriptor values
2014-10-24 rautenbergAA fix fix fix :(