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Created with Raphaël 2.2.013Sep108765429Aug242322212014732131Jul29282726252423222019181713Jun121128May1816151413976543224Apr13121198764330Mar261210987626Feb2522161514121031Jan302928242322181716158519Dec14137643130Nov2724201716131087626Oct181716131211965228Sep211814131211929Aug754331Jul2720181713121110730Jun2926212016151312823May221918171615113228Apr2724212018build openbabel with python bindings for python3add openbabel install docs for ubuntucorrect expected tanimoto value in the testMerge branch 'master' of https://gitlab.pasteur.fr/hub/iPPIDBUpdate Tests form and templateadd test cases for ECFP4correct typo in marvinjs modal htmlcorrect path to openbabel librariescorrect mistake in ansible "add /etc/local/lib to library path"add openbabel libraries to ld.so.conf.d through ansiblecorrect stupid mistake in ld_library_path_ippidb.sh ansible copyanother try to make ansible LD_LIBRARY_PATH copy successfulcorrect source path to ld_library_path_ippidb.sh in ansibleanother typo in openbabel ansible build another typo in ansible openbabel buildcorrect typo in deploy.yamlinstall openbabel from source, WIPUpdate .gitlab-ci.ymlcompile python bindings for openbabelopenbabel manual install during ansible deployment, WIPcorrect install openbabel 2.4.1 for test in gitlab-ci, WIPinstall wget for testsstart updating deployment and tests to make sure all necessary fingerprints are availableadd the possibility to choose between Tanimoto fingerprintssynchronize MarvinJS and SMILES textareaadd InChi and InChiKey in the Compound modeladd functions to generate InChi and InChiKeyshow tanimoto even if is 0 in compounds query resultsautoload current SMILES in MarvinJShandle arbitrary MOL headers from OpenBabel in conversion testscompute 2D coordinates during SMILES to MOL conversionadd smiles to mol converter, correct mol to smiles and add unit testsfix sorting and do not remove other options in tanimoto modeadd the possibility to remove multiple parameters from url via Jsadd tanimoto similarity to the compounds list.add model and function for computing tanimotoadd tests for utils.FingerPrintermodify FingerPrinter to use dicts instead of listsadd a helper class to compute Tanimoto using OpenBabeladd compound structure to the biplot tooltips