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Created with Raphaël 2.2.06Sep5429Aug242322212014732131Jul29282726252423222019181713Jun121128May1816151413976543224Apr13121198764330Mar261210987626Feb2522161514121031Jan302928242322181716158519Dec14137643130Nov2724201716131087626Oct181716131211965228Sep211814131211929Aug754331Jul2720181713121110730Jun2926212016151312823May221918171615113228Apr272421201830Mar29start 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 tooltipsadd compound smiles to the biplots in the DBcorrect compound display in compounds list table viewremove references to Kekule, not used anymoreadd the number of assays in the compounds listMerge branch 'master' of https://gitlab.pasteur.fr/hub/iPPIDBfix compound bibliography reference for IDs 1651, 1652, 1653, 1654fix typo in MarvinJS license file creationfix marvinjs license file creationadd Marvin JS license during deploymentignore MarvinJS license file in GITadd marvinjs libraryinstall openbabel development headersinstall swig for openbabel bindingsalso install openbabel for testsinstall openbabel and python bindingsChemical similarity part 1 (WIP)refactor smilesDrawer componentUpdate onloadTest JS function to set the appropriate value for the Number of copies of the protein in the complex according to the architectureAdd JS function to duplicate form in formset according specific conditionsAdd compound in CompoundForm is now available! Next step add delete buttonMerge branch 'master' of https://gitlab.pasteur.fr/hub/iPPIDBCan add new form into Compound step, but label ids don't update yet...