AgeCommit message (Expand)Author
2015-08-19VERSION bumped to 0.0.4v0.0.5Christoph Helma
2015-08-19Makefile fixedChristoph Helma
2015-08-19VERSION bumped to 0.0.3v0.0.3Christoph Helma
2015-08-19ext/lazar/Makefile addedChristoph Helma
2015-08-19VERSION bumped to 0.0.2v0.0.2Christoph Helma
2015-08-19dummy Makefile for ext/lazar/extconf.rbChristoph Helma
2015-08-19versioning started at 0.0.1v0.0.1Christoph Helma
2015-08-19name conversion fixedv1.0.0beta1Christoph Helma
2015-08-19hydrogens added for 3d generationChristoph Helma
2015-08-19ob_{include|lib} paths fixedChristoph Helma
2015-08-19libfminer rpath fixed, installation instructionsChristoph Helma
2015-08-18initial installation fixes, installs on Debian 3.16.7ch
2015-08-18first attempt at installing openbabel from githubChristoph Helma
2015-08-15openbabel and fminer installation addedChristoph Helma
2015-08-15java libraries addedChristoph Helma
2015-08-15initial installation scriptChristoph Helma
2015-08-13majority of tests workingChristoph Helma
2015-08-13OpenBabel can (canonical smiles) instead of inchi as internal identifier to a...Christoph Helma
2015-08-10algorithm libraries added, fminer tests passChristoph Helma
2015-08-10transfer to new git project startedChristoph Helma
2015-08-09customized prediction algorithms implementedChristoph Helma
2015-08-07SMARTS_InteLigand.txt addedChristoph Helma
2015-08-07initial k-nn weighted average implementationChristoph Helma
2015-08-03initial classification validationChristoph Helma
2015-08-0150 times faster bbrc setup by eliminating @fminer.add_fminer_dataChristoph Helma
2015-07-31intermediary commitChristoph Helma
2015-07-31descriptor tests workingChristoph Helma
2015-07-29kazius lazar predictions workingChristoph Helma
2015-07-29bbrc features for kazius with minfreq 20 successfully created and storedChristoph Helma
2015-07-29save data_entries in GridFS (fastest method up to now)Christoph Helma
2015-07-27reasonable query performace for data_entriesChristoph Helma
2015-07-22mongo batch import workaroundChristoph Helma
2015-07-21intermediary commit before switching to generalised storage modelChristoph Helma
2015-07-19lazar predictions working in principleChristoph Helma
2015-07-18initial algorithm changesChristoph Helma
2015-07-18dataset tests passChristoph Helma
2015-07-16task tests passedChristoph Helma
2015-07-16feature tests for standalone versionChristoph Helma
2015-07-16storage of uris instead of objectsChristoph Helma
2015-07-12initial dataset testsch
2015-07-08feature, error and task (almost) workingch
2015-03-26avoid data_entries nil errorgebele
2015-03-09reintroduce percentageCompleted for task progress;added method to generate a ...gebele
2014-11-05Merge branch 'development' of into developmentrautenberg
2014-11-05add missing opening body tag in to_html method / remove autologin to avoid co...rautenberg
2014-11-05fixed metadata call for find_or_create, flatten arrays in object; ensure righ...gebele
2014-11-05add missing opening body tag in to_html methodrautenberg
2014-11-05fix missing header hash in RestClientWrapper callrautenberg
2014-11-04add rescue to .features and .compounds methods to make them work with A&A (it...rautenberg
2014-11-04Merge branch 'development' of into developmentrautenberg