OCDocker.DB.Models package¶
Submodules¶
- OCDocker.DB.Models.Base module
BaseBase.__repr__()Base.idBase.created_atBase.modified_atBase.nameBase.add_dynamic_columns()Base.delete()Base.determine_column_type()Base.find_iter()Base.find()Base.find_all_iter()Base.find_all()Base.find_all_names_iter()Base.find_all_names()Base.find_attribute_iter()Base.find_attribute()Base.find_first()Base.insert()Base.insert_or_update()Base.to_dict()Base.update()Base.metadataBase.registry
base
- OCDocker.DB.Models.Complexes module
ComplexesComplexes.idComplexes.ligand_idComplexes.receptor_idComplexes.ligandComplexes.receptorComplexes.allDescriptorsComplexes.ligand_idComplexes.receptor_idComplexes.ligandComplexes.receptorComplexes.descriptors_namesComplexes.allDescriptorsComplexes.GNINA_AD4_SCORINGComplexes.GNINA_DEFAULTComplexes.GNINA_DKOES_FASTComplexes.GNINA_DKOES_SCORINGComplexes.GNINA_DKOES_SCORING_OLDComplexes.GNINA_VINAComplexes.GNINA_VINARDOComplexes.OCSCOREComplexes.ODDT_NNSCOREComplexes.ODDT_PLECRF_P5_L1_S65536Complexes.ODDT_RFSCORE_V1Complexes.ODDT_RFSCORE_V2Complexes.ODDT_RFSCORE_V3Complexes.PLANTS_CHEMPLPComplexes.PLANTS_PLPComplexes.PLANTS_PLP95Complexes.SMINA_FAST_DKOESComplexes.SMINA_OLD_SCORING_DKOESComplexes.SMINA_SCORING_AD4Complexes.SMINA_SCORING_DKOESComplexes.SMINA_VINAComplexes.SMINA_VINARDOComplexes.VINA_VINAComplexes.VINA_VINARDOComplexes.created_atComplexes.idComplexes.modified_atComplexes.name
- OCDocker.DB.Models.Ligands module
LigandsLigands.idLigands.complexesLigands.allDescriptorsLigands.complexesLigands.AUTOCORR2D_1Ligands.AUTOCORR2D_10Ligands.AUTOCORR2D_100Ligands.AUTOCORR2D_101Ligands.AUTOCORR2D_102Ligands.AUTOCORR2D_103Ligands.AUTOCORR2D_104Ligands.AUTOCORR2D_105Ligands.AUTOCORR2D_106Ligands.AUTOCORR2D_107Ligands.AUTOCORR2D_108Ligands.AUTOCORR2D_109Ligands.AUTOCORR2D_11Ligands.AUTOCORR2D_110Ligands.AUTOCORR2D_111Ligands.AUTOCORR2D_112Ligands.AUTOCORR2D_113Ligands.AUTOCORR2D_114Ligands.AUTOCORR2D_115Ligands.AUTOCORR2D_116Ligands.AUTOCORR2D_117Ligands.AUTOCORR2D_118Ligands.AUTOCORR2D_119Ligands.AUTOCORR2D_12Ligands.AUTOCORR2D_120Ligands.AUTOCORR2D_121Ligands.AUTOCORR2D_122Ligands.AUTOCORR2D_123Ligands.AUTOCORR2D_124Ligands.AUTOCORR2D_125Ligands.AUTOCORR2D_126Ligands.AUTOCORR2D_127Ligands.AUTOCORR2D_128Ligands.AUTOCORR2D_129Ligands.AUTOCORR2D_13Ligands.AUTOCORR2D_130Ligands.AUTOCORR2D_131Ligands.AUTOCORR2D_132Ligands.AUTOCORR2D_133Ligands.AUTOCORR2D_134Ligands.AUTOCORR2D_135Ligands.AUTOCORR2D_136Ligands.AUTOCORR2D_137Ligands.AUTOCORR2D_138Ligands.AUTOCORR2D_139Ligands.AUTOCORR2D_14Ligands.AUTOCORR2D_140Ligands.AUTOCORR2D_141Ligands.AUTOCORR2D_142Ligands.AUTOCORR2D_143Ligands.AUTOCORR2D_144Ligands.AUTOCORR2D_145Ligands.AUTOCORR2D_146Ligands.AUTOCORR2D_147Ligands.AUTOCORR2D_148Ligands.AUTOCORR2D_149Ligands.AUTOCORR2D_15Ligands.AUTOCORR2D_150Ligands.AUTOCORR2D_151Ligands.AUTOCORR2D_152Ligands.AUTOCORR2D_153Ligands.AUTOCORR2D_154Ligands.AUTOCORR2D_155Ligands.AUTOCORR2D_156Ligands.AUTOCORR2D_157Ligands.AUTOCORR2D_158Ligands.AUTOCORR2D_159Ligands.AUTOCORR2D_16Ligands.AUTOCORR2D_160Ligands.AUTOCORR2D_161Ligands.AUTOCORR2D_162Ligands.AUTOCORR2D_163Ligands.AUTOCORR2D_164Ligands.AUTOCORR2D_165Ligands.AUTOCORR2D_166Ligands.AUTOCORR2D_167Ligands.AUTOCORR2D_168Ligands.AUTOCORR2D_169Ligands.AUTOCORR2D_17Ligands.AUTOCORR2D_170Ligands.AUTOCORR2D_171Ligands.AUTOCORR2D_172Ligands.AUTOCORR2D_173Ligands.AUTOCORR2D_174Ligands.AUTOCORR2D_175Ligands.AUTOCORR2D_176Ligands.AUTOCORR2D_177Ligands.AUTOCORR2D_178Ligands.AUTOCORR2D_179Ligands.AUTOCORR2D_18Ligands.AUTOCORR2D_180Ligands.AUTOCORR2D_181Ligands.AUTOCORR2D_182Ligands.AUTOCORR2D_183Ligands.AUTOCORR2D_184Ligands.AUTOCORR2D_185Ligands.AUTOCORR2D_186Ligands.AUTOCORR2D_187Ligands.AUTOCORR2D_188Ligands.AUTOCORR2D_189Ligands.AUTOCORR2D_19Ligands.AUTOCORR2D_190Ligands.AUTOCORR2D_191Ligands.AUTOCORR2D_192Ligands.AUTOCORR2D_2Ligands.AUTOCORR2D_20Ligands.AUTOCORR2D_21Ligands.AUTOCORR2D_22Ligands.AUTOCORR2D_23Ligands.AUTOCORR2D_24Ligands.AUTOCORR2D_25Ligands.AUTOCORR2D_26Ligands.AUTOCORR2D_27Ligands.AUTOCORR2D_28Ligands.AUTOCORR2D_29Ligands.AUTOCORR2D_3Ligands.AUTOCORR2D_30Ligands.AUTOCORR2D_31Ligands.AUTOCORR2D_32Ligands.AUTOCORR2D_33Ligands.AUTOCORR2D_34Ligands.AUTOCORR2D_35Ligands.AUTOCORR2D_36Ligands.AUTOCORR2D_37Ligands.AUTOCORR2D_38Ligands.AUTOCORR2D_39Ligands.AUTOCORR2D_4Ligands.AUTOCORR2D_40Ligands.AUTOCORR2D_41Ligands.AUTOCORR2D_42Ligands.AUTOCORR2D_43Ligands.AUTOCORR2D_44Ligands.AUTOCORR2D_45Ligands.AUTOCORR2D_46Ligands.AUTOCORR2D_47Ligands.AUTOCORR2D_48Ligands.AUTOCORR2D_49Ligands.AUTOCORR2D_5Ligands.AUTOCORR2D_50Ligands.AUTOCORR2D_51Ligands.AUTOCORR2D_52Ligands.AUTOCORR2D_53Ligands.AUTOCORR2D_54Ligands.AUTOCORR2D_55Ligands.AUTOCORR2D_56Ligands.AUTOCORR2D_57Ligands.AUTOCORR2D_58Ligands.AUTOCORR2D_59Ligands.AUTOCORR2D_6Ligands.AUTOCORR2D_60Ligands.AUTOCORR2D_61Ligands.AUTOCORR2D_62Ligands.AUTOCORR2D_63Ligands.AUTOCORR2D_64Ligands.AUTOCORR2D_65Ligands.AUTOCORR2D_66Ligands.AUTOCORR2D_67Ligands.AUTOCORR2D_68Ligands.AUTOCORR2D_69Ligands.AUTOCORR2D_7Ligands.AUTOCORR2D_70Ligands.AUTOCORR2D_71Ligands.AUTOCORR2D_72Ligands.AUTOCORR2D_73Ligands.AUTOCORR2D_74Ligands.AUTOCORR2D_75Ligands.AUTOCORR2D_76Ligands.AUTOCORR2D_77Ligands.AUTOCORR2D_78Ligands.AUTOCORR2D_79Ligands.AUTOCORR2D_8Ligands.AUTOCORR2D_80Ligands.AUTOCORR2D_81Ligands.AUTOCORR2D_82Ligands.AUTOCORR2D_83Ligands.AUTOCORR2D_84Ligands.AUTOCORR2D_85Ligands.AUTOCORR2D_86Ligands.AUTOCORR2D_87Ligands.AUTOCORR2D_88Ligands.AUTOCORR2D_89Ligands.AUTOCORR2D_9Ligands.AUTOCORR2D_90Ligands.AUTOCORR2D_91Ligands.AUTOCORR2D_92Ligands.AUTOCORR2D_93Ligands.AUTOCORR2D_94Ligands.AUTOCORR2D_95Ligands.AUTOCORR2D_96Ligands.AUTOCORR2D_97Ligands.AUTOCORR2D_98Ligands.AUTOCORR2D_99Ligands.AsphericityLigands.BCUT2D_CHGHILigands.BCUT2D_CHGLOLigands.BCUT2D_LOGPHILigands.BCUT2D_LOGPLOWLigands.BCUT2D_MRHILigands.BCUT2D_MRLOWLigands.BCUT2D_MWHILigands.BCUT2D_MWLOWLigands.BalabanJLigands.BertzCTLigands.Chi0Ligands.Chi0nLigands.Chi0vLigands.Chi1Ligands.Chi1nLigands.Chi1vLigands.Chi2nLigands.Chi2vLigands.Chi3nLigands.Chi3vLigands.Chi4nLigands.Chi4vLigands.EState_VSA1Ligands.EState_VSA10Ligands.EState_VSA11Ligands.EState_VSA2Ligands.EState_VSA3Ligands.EState_VSA4Ligands.EState_VSA5Ligands.EState_VSA6Ligands.EState_VSA7Ligands.EState_VSA8Ligands.EState_VSA9Ligands.EccentricityLigands.ExactMolWtLigands.FpDensityMorgan1Ligands.FpDensityMorgan2Ligands.FpDensityMorgan3Ligands.FractionCSP3Ligands.HallKierAlphaLigands.HeavyAtomCountLigands.HeavyAtomMolWtLigands.InertialShapeFactorLigands.Kappa1Ligands.Kappa2Ligands.Kappa3Ligands.LabuteASALigands.MaxAbsEStateIndexLigands.MaxAbsPartialChargeLigands.MaxEStateIndexLigands.MaxPartialChargeLigands.MinAbsEStateIndexLigands.MinAbsPartialChargeLigands.MinEStateIndexLigands.MinPartialChargeLigands.MolLogPLigands.MolMRLigands.MolWtLigands.NHOHCountLigands.NOCountLigands.NPR1Ligands.NPR2Ligands.NumAliphaticCarbocyclesLigands.NumAliphaticHeterocyclesLigands.NumAliphaticRingsLigands.NumAromaticCarbocyclesLigands.NumAromaticHeterocyclesLigands.NumAromaticRingsLigands.NumHAcceptorsLigands.NumHDonorsLigands.NumHeteroatomsLigands.NumRadicalElectronsLigands.NumRotatableBondsLigands.NumSaturatedCarbocyclesLigands.NumSaturatedHeterocyclesLigands.NumSaturatedRingsLigands.NumValenceElectronsLigands.PEOE_VSA1Ligands.PEOE_VSA10Ligands.PEOE_VSA11Ligands.PEOE_VSA12Ligands.PEOE_VSA13Ligands.PEOE_VSA14Ligands.PEOE_VSA2Ligands.PEOE_VSA3Ligands.PEOE_VSA4Ligands.PEOE_VSA5Ligands.PEOE_VSA6Ligands.PEOE_VSA7Ligands.PEOE_VSA8Ligands.PEOE_VSA9Ligands.PMI1Ligands.PMI2Ligands.PMI3Ligands.RadiusOfGyrationLigands.RingCountLigands.SMR_VSA1Ligands.SMR_VSA10Ligands.SMR_VSA2Ligands.SMR_VSA3Ligands.SMR_VSA4Ligands.SMR_VSA5Ligands.SMR_VSA6Ligands.SMR_VSA7Ligands.SMR_VSA8Ligands.SMR_VSA9Ligands.SlogP_VSA1Ligands.SlogP_VSA10Ligands.SlogP_VSA11Ligands.SlogP_VSA12Ligands.SlogP_VSA2Ligands.SlogP_VSA3Ligands.SlogP_VSA4Ligands.SlogP_VSA5Ligands.SlogP_VSA6Ligands.SlogP_VSA7Ligands.SlogP_VSA8Ligands.SlogP_VSA9Ligands.SpherocityIndexLigands.TPSALigands.VSA_EState1Ligands.VSA_EState10Ligands.VSA_EState2Ligands.VSA_EState3Ligands.VSA_EState4Ligands.VSA_EState5Ligands.VSA_EState6Ligands.VSA_EState7Ligands.VSA_EState8Ligands.VSA_EState9Ligands.created_atLigands.fr_Al_COOLigands.fr_Al_OHLigands.fr_Al_OH_noTertLigands.fr_ArNLigands.fr_Ar_COOLigands.fr_Ar_NLigands.fr_Ar_NHLigands.fr_Ar_OHLigands.fr_COOLigands.fr_COO2Ligands.fr_C_OLigands.fr_C_O_noCOOLigands.fr_C_SLigands.fr_HOCCNLigands.fr_ImineLigands.fr_NH0Ligands.fr_NH1Ligands.fr_NH2Ligands.fr_N_OLigands.fr_Ndealkylation1Ligands.fr_Ndealkylation2Ligands.fr_NhpyrroleLigands.fr_SHLigands.fr_aldehydeLigands.fr_alkyl_carbamateLigands.fr_alkyl_halideLigands.fr_allylic_oxidLigands.fr_amideLigands.fr_amidineLigands.fr_anilineLigands.fr_aryl_methylLigands.fr_azideLigands.fr_azoLigands.fr_barbiturLigands.fr_benzeneLigands.fr_benzodiazepineLigands.fr_bicyclicLigands.fr_diazoLigands.fr_dihydropyridineLigands.fr_epoxideLigands.fr_esterLigands.fr_etherLigands.fr_furanLigands.fr_guanidoLigands.fr_halogenLigands.fr_hdrzineLigands.fr_hdrzoneLigands.fr_imidazoleLigands.fr_imideLigands.fr_isocyanLigands.fr_isothiocyanLigands.fr_ketoneLigands.fr_ketone_ToplissLigands.fr_lactamLigands.fr_lactoneLigands.fr_methoxyLigands.fr_morpholineLigands.fr_nitrileLigands.fr_nitroLigands.fr_nitro_aromLigands.fr_nitro_arom_nonorthoLigands.fr_nitrosoLigands.fr_oxazoleLigands.fr_oximeLigands.fr_para_hydroxylationLigands.fr_phenolLigands.fr_phenol_noOrthoHbondLigands.fr_phos_acidLigands.fr_phos_esterLigands.fr_piperdineLigands.fr_piperzineLigands.fr_priamideLigands.fr_prisulfonamdLigands.fr_pyridineLigands.fr_quatNLigands.fr_sulfideLigands.fr_sulfonamdLigands.fr_sulfoneLigands.fr_term_acetyleneLigands.fr_tetrazoleLigands.fr_thiazoleLigands.fr_thiocyanLigands.fr_thiopheneLigands.fr_unbrch_alkaneLigands.fr_ureaLigands.idLigands.modified_atLigands.nameLigands.qed
- OCDocker.DB.Models.Receptors module
ReceptorsReceptors.idReceptors.complexesReceptors.allDescriptorsReceptors.complexesReceptors.descriptors_namesReceptors.single_descriptorsReceptors.allDescriptorsReceptors.AromaticityReceptors.AvgAALengthReceptors.DipoleMomentReceptors.GRAVYReceptors.InstabilityIndexReceptors.IsoelectricPointReceptors.SASAReceptors.TotalAALengthReceptors.countAReceptors.countCReceptors.countChainReceptors.countDReceptors.countEReceptors.countFReceptors.countGReceptors.countHReceptors.countIReceptors.countKReceptors.countLReceptors.countMReceptors.countNReceptors.countPReceptors.countQReceptors.countRReceptors.countSReceptors.countTReceptors.countVReceptors.countWReceptors.countYReceptors.created_atReceptors.idReceptors.modified_atReceptors.name
Module contents¶
Database ORM models package.
Usage:
import OCDocker.DB.Models as ocmodels
Modules¶
Base: Declarative base and shared ORM helpers.
Complexes: Complexes table model.
Ligands: Ligands table model.
Receptors: Receptors table model.